57459433 -OEChem-12031818353D 86 90 0 0 0 0 0 0 0999 V2000 -0.7805 -1.1383 -1.6802 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8853 6.3379 -1.1656 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9896 4.3567 -1.3922 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0864 -2.6940 1.7993 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8288 0.8547 -2.0786 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2703 -0.7889 -2.8633 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9618 2.4744 1.8159 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8322 -2.0030 -0.4192 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8405 -0.8518 -0.8358 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3485 -0.6855 -2.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3683 4.6437 0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3283 0.0234 -1.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0154 -1.8819 -3.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6343 0.3609 -2.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3315 -1.4805 -3.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9591 4.0493 -0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1423 3.6248 1.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2786 3.0625 2.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7525 3.4717 1.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8923 -1.6990 -1.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7517 1.8942 2.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1881 -1.1033 -1.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1773 5.0622 -0.8127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7491 0.8874 2.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0985 1.2284 2.3006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -0.3863 2.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5615 -1.9498 0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5978 -0.9777 1.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8338 -0.2621 -1.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7724 -2.9582 -0.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0227 0.2960 1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2484 -1.3188 1.5449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0971 -0.3072 -0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0168 -1.0317 0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4098 0.9823 -0.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7214 -2.3745 0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2493 -0.4667 0.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6422 1.5475 -0.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5619 0.8228 0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0569 -3.4735 -0.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 -2.5670 1.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7729 -4.7651 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8179 -3.8584 2.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1534 -4.9575 1.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 0.0041 -3.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1826 5.5254 1.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5121 -0.6097 -0.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3340 -2.3133 -3.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -2.6770 -2.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 0.9373 -1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8052 -2.3621 -4.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 -0.8132 -4.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4178 1.1102 -2.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3118 0.8694 -1.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4884 2.7932 0.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0431 4.0891 1.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5584 4.8198 -0.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7801 3.2675 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0709 4.2871 1.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8646 2.2954 2.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 3.8552 3.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6578 3.0200 0.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2106 -1.9916 -1.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1547 -2.6358 -2.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0986 1.3571 3.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2453 2.6686 3.5048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8899 -0.9187 -2.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0295 -0.1355 -0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4432 2.2172 2.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2757 -0.6646 2.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5872 -2.4102 -1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1909 -3.6039 -0.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2560 -3.5785 -1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0716 0.5727 1.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 -2.3112 1.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4049 6.6306 -1.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6441 -1.7928 -0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7573 1.6114 -1.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9792 -1.0162 1.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8867 2.5518 -0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5214 1.2630 0.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5397 -3.3411 -1.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 -1.7211 2.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0339 -5.6208 -0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3351 -4.0083 3.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9321 -5.9629 1.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 29 1 0 0 0 0 2 23 1 0 0 0 0 2 76 1 0 0 0 0 3 23 2 0 0 0 0 4 27 2 0 0 0 0 5 29 2 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 27 1 0 0 0 0 8 30 1 0 0 0 0 9 29 1 0 0 0 0 9 33 1 0 0 0 0 9 77 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 45 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 23 1 0 0 0 0 11 46 1 0 0 0 0 12 14 1 0 0 0 0 12 47 1 0 0 0 0 12 50 1 0 0 0 0 13 15 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 19 1 0 0 0 0 16 57 1 0 0 0 0 16 58 1 0 0 0 0 17 18 1 0 0 0 0 17 55 1 0 0 0 0 17 56 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 19 59 1 0 0 0 0 19 62 1 0 0 0 0 20 22 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 24 1 0 0 0 0 21 65 1 0 0 0 0 21 66 1 0 0 0 0 22 67 1 0 0 0 0 22 68 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 31 1 0 0 0 0 25 69 1 0 0 0 0 26 32 2 0 0 0 0 26 70 1 0 0 0 0 27 28 1 0 0 0 0 28 31 2 0 0 0 0 28 32 1 0 0 0 0 30 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 74 1 0 0 0 0 32 75 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 34 36 1 0 0 0 0 34 37 2 0 0 0 0 35 38 1 0 0 0 0 35 78 1 0 0 0 0 36 40 2 0 0 0 0 36 41 1 0 0 0 0 37 39 1 0 0 0 0 37 79 1 0 0 0 0 38 39 2 0 0 0 0 38 80 1 0 0 0 0 39 81 1 0 0 0 0 40 42 1 0 0 0 0 40 82 1 0 0 0 0 41 43 2 0 0 0 0 41 83 1 0 0 0 0 42 44 2 0 0 0 0 42 84 1 0 0 0 0 43 44 1 0 0 0 0 43 85 1 0 0 0 0 44 86 1 0 0 0 0 M END > DBMET02191 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZVPVPYWMFMUFEZ-UHFFFAOYSA-N/SDF?record_type=3d > CN(CCN1CCC(CC1)OC(=O)NC1=CC=CC=C1C1=CC=CC=C1)C(=O)C1=CC=C(CN2CCC(CC2)C(O)=O)C=C1 > InChI=1S/C35H42N4O5/c1-37(33(40)28-13-11-26(12-14-28)25-39-19-15-29(16-20-39)34(41)42)23-24-38-21-17-30(18-22-38)44-35(43)36-32-10-6-5-9-31(32)27-7-3-2-4-8-27/h2-14,29-30H,15-25H2,1H3,(H,36,43)(H,41,42) > ZVPVPYWMFMUFEZ-UHFFFAOYSA-N > C35H42N4O5 > 598.744 > 598.315520468 > 7 > 86 > 66.58663670846448 > 0 > 2 > 0 > 0 > 1-({4-[(2-{4-[({[1,1'-biphenyl]-2-yl}carbamoyl)oxy]piperidin-1-yl}ethyl)(methyl)carbamoyl]phenyl}methyl)piperidine-4-carboxylic acid > 3.68 > 1.618932472942604 > -4.74 > 1 > 5 > 1 > 12.740986004596746 > 3.729744313550639 > 8.898468702144637 > 102.42 > 173.0173 > 11 > 0 > 1.09e-02 g/l > 1-({4-[(2-{4-[({[1,1'-biphenyl]-2-yl}carbamoyl)oxy]piperidin-1-yl}ethyl)(methyl)carbamoyl]phenyl}methyl)piperidine-4-carboxylic acid > 0 $$$$