656932 -OEChem-10051720263D 84 90 0 1 0 0 0 0 0999 V2000 2.0323 -2.8461 -2.8204 P 0 0 0 0 0 0 0 0 0 0 0 0 -4.2729 3.1555 2.1887 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8369 1.3274 0.9182 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7748 0.1339 -2.4393 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3864 -2.5193 -3.6156 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2185 -4.3559 -2.3118 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7583 -2.5098 -3.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0198 2.9681 0.2235 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 2.7838 -0.9008 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3596 3.1548 -0.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 3.8387 0.4296 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2523 1.9332 -1.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2197 4.1641 0.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7299 2.3065 -1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9995 2.5762 1.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5174 1.8664 0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8623 3.4165 -1.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9393 1.4902 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7740 1.3638 0.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3786 0.4085 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2858 -1.9039 -1.2660 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8530 2.2418 0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4477 -0.3953 -1.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7330 0.0745 -0.7743 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2201 1.9202 0.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9593 1.4524 0.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6668 0.8202 -0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3248 0.1263 1.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1795 -2.1837 -0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7113 0.3018 -0.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4214 -2.8369 0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0590 -1.0272 1.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2545 -0.9565 0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1536 2.6659 1.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0339 0.4988 -0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -1.7650 -0.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3433 -3.0682 1.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9066 0.3726 -0.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5080 2.3323 1.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -3.2649 1.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9473 1.2509 0.6927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1672 -1.9926 0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9452 -2.6398 1.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0066 -2.1071 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5853 -3.7214 3.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6413 -0.7807 -1.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9322 -3.9126 2.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1923 -2.0180 -0.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 -4.1404 3.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5339 3.8728 -1.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1479 4.7615 0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 3.2149 1.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0363 1.5069 -2.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0709 1.1385 -0.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4686 4.5918 1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4808 4.9093 -0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9949 3.0105 -1.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3396 1.4122 -1.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8219 4.5008 -1.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9047 3.0998 -1.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4507 3.1602 -2.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 -2.2557 -0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 3.0864 1.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0740 -0.7663 -1.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3006 2.4260 -0.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4026 0.0471 1.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6887 -1.9838 1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8327 3.5154 2.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3132 -1.2475 -1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3999 -0.3425 -0.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2767 1.3292 -1.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5896 -3.1287 0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2197 2.9173 2.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1667 -1.6675 -0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0019 0.9918 0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7893 -2.8067 2.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6745 -3.0849 0.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2285 -3.9099 3.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5181 -2.8899 -4.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1160 -5.0943 -2.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9333 -4.2391 2.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5642 -0.7121 -1.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7646 -2.9154 -0.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0456 -4.6445 4.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 21 1 0 0 0 0 2 15 2 0 0 0 0 3 16 2 0 0 0 0 4 23 2 0 0 0 0 5 79 1 0 0 0 0 6 80 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 50 1 0 0 0 0 11 13 1 0 0 0 0 11 51 1 0 0 0 0 11 52 1 0 0 0 0 12 14 1 0 0 0 0 12 53 1 0 0 0 0 12 54 1 0 0 0 0 13 55 1 0 0 0 0 13 56 1 0 0 0 0 14 57 1 0 0 0 0 14 58 1 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 17 59 1 0 0 0 0 17 60 1 0 0 0 0 17 61 1 0 0 0 0 18 20 1 0 0 0 0 18 22 2 0 0 0 0 19 26 2 0 0 0 0 19 28 1 0 0 0 0 20 23 1 0 0 0 0 20 24 2 0 0 0 0 21 23 1 0 0 0 0 21 29 1 0 0 0 0 21 62 1 0 0 0 0 22 25 1 0 0 0 0 22 63 1 0 0 0 0 24 27 1 0 0 0 0 24 64 1 0 0 0 0 25 27 1 0 0 0 0 25 34 2 0 0 0 0 26 30 1 0 0 0 0 26 65 1 0 0 0 0 27 35 2 0 0 0 0 28 32 2 0 0 0 0 28 66 1 0 0 0 0 29 31 1 0 0 0 0 29 36 2 0 0 0 0 30 33 1 0 0 0 0 30 38 2 0 0 0 0 31 37 1 0 0 0 0 31 40 2 0 0 0 0 32 33 1 0 0 0 0 32 67 1 0 0 0 0 33 44 2 0 0 0 0 34 39 1 0 0 0 0 34 68 1 0 0 0 0 35 41 1 0 0 0 0 35 70 1 0 0 0 0 36 42 1 0 0 0 0 36 69 1 0 0 0 0 37 43 1 0 0 0 0 37 45 2 0 0 0 0 38 46 1 0 0 0 0 38 71 1 0 0 0 0 39 41 2 0 0 0 0 39 73 1 0 0 0 0 40 47 1 0 0 0 0 40 72 1 0 0 0 0 41 75 1 0 0 0 0 42 43 2 0 0 0 0 42 74 1 0 0 0 0 43 76 1 0 0 0 0 44 48 1 0 0 0 0 44 77 1 0 0 0 0 45 49 1 0 0 0 0 45 78 1 0 0 0 0 46 48 2 0 0 0 0 46 82 1 0 0 0 0 47 49 2 0 0 0 0 47 81 1 0 0 0 0 48 83 1 0 0 0 0 49 84 1 0 0 0 0 M END > DB04016 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XUJQPDQURBZEGJ-KXQOOQHDSA-N/SDF?record_type=3d > CN(C1CCN(CC1)C(=O)C1=CC2=CC=CC=C2C=C1)C(=O)C1=CC2=CC=CC=C2C=C1C(=O)[C@@H](C1=CC=CC2=CC=CC=C12)P(O)(O)=O > InChI=1S/C40H35N2O6P/c1-41(32-19-21-42(22-20-32)39(44)31-18-17-26-9-2-3-11-28(26)23-31)40(45)36-25-30-13-5-4-12-29(30)24-35(36)37(43)38(49(46,47)48)34-16-8-14-27-10-6-7-15-33(27)34/h2-18,23-25,32,38H,19-22H2,1H3,(H2,46,47,48)/t38-/m1/s1 > XUJQPDQURBZEGJ-KXQOOQHDSA-N > C40H35N2O6P > 670.6895 > 670.223273374 > 6 > 84 > -1.1457114687803331 > 69.99363209111846 > 0 > 2 > 0 > 0 > [(1R)-2-(3-{methyl[1-(naphthalene-2-carbonyl)piperidin-4-yl]carbamoyl}naphthalen-2-yl)-1-(naphthalen-1-yl)-2-oxoethyl]phosphonic acid > 4.49 > 5.256691479333334 > -6.70 > 1 > -1 > 7 > -1 > 8.069128106668423 > 1.5455909396554801 > -0.735062065513771 > 115.22 > 190.42419999999998 > 7 > 0 > 1.33e-04 g/l > biotin > 0 $$$$