6918097 -OEChem-06141818323D 84 88 0 1 0 0 0 0 0999 V2000 1.9103 -2.8740 0.8585 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6459 -2.4232 2.3226 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5046 1.3880 0.1949 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5907 2.2882 -1.7322 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4335 3.6571 2.6349 O 0 5 0 0 0 0 0 0 0 0 0 0 2.2868 2.8792 3.5176 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1222 -1.6201 1.2944 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7376 -2.0024 -2.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4519 2.9261 2.5820 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5351 -0.3253 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9255 -1.7073 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0873 -0.1524 1.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4246 -1.8566 -0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5746 -0.2909 1.7108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0529 0.8840 -0.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0785 -0.4205 -0.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 -1.7831 1.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3332 -3.2636 1.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9742 2.1506 -0.2502 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6331 -1.1859 -1.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6973 0.7052 -2.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9097 0.2590 0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1483 -3.4653 1.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5403 3.2383 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0187 -1.2716 -1.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2633 1.7931 -2.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2953 0.1732 0.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1848 3.0595 -2.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8498 -0.5921 -0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2109 -0.3638 0.1246 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7790 -1.8318 0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1282 -2.4040 1.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0941 0.0739 -1.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0413 -2.5707 -1.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0006 0.5211 0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2940 -0.7336 -2.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6296 -4.0030 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 1.3061 1.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0857 0.5570 -0.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7455 1.3883 -0.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0977 -0.3819 -3.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6660 2.1269 1.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9609 1.3776 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 2.1627 0.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2071 2.6081 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0592 -1.9362 -1.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4468 -2.5109 0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4155 0.7809 1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5773 -0.9346 2.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1455 -2.8740 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8545 -1.1733 -0.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0312 0.5002 1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3733 -0.1554 2.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4327 -1.3373 2.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0914 -1.2588 0.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5575 -3.7627 0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9234 -3.7584 2.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2695 2.3567 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0358 -1.7080 -1.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7601 -0.2565 -2.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5192 0.8778 1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 -3.0266 2.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3787 -4.5356 1.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4859 4.2262 -0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4512 -1.8612 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9902 1.6553 -3.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9430 0.7056 1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8490 3.9069 -2.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9286 -0.6567 -0.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8118 -0.2775 1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9031 -2.5787 -2.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4422 -4.5689 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3956 -4.5239 -0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7553 -4.0524 -1.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5164 1.2637 2.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2236 -0.0455 -1.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4373 -0.2839 -4.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6617 0.5483 -3.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8275 -1.1715 -3.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2465 1.4032 -1.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1378 2.7879 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8991 2.8276 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4985 3.4303 0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7819 2.4810 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 32 1 0 0 0 0 2 32 2 0 0 0 0 3 40 1 0 0 0 0 3 45 1 0 0 0 0 4 40 2 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 8 34 1 0 0 0 0 8 36 1 0 0 0 0 8 71 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 14 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 19 2 0 0 0 0 15 21 1 0 0 0 0 16 20 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 23 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 24 1 0 0 0 0 19 58 1 0 0 0 0 20 25 1 0 0 0 0 20 59 1 0 0 0 0 21 26 2 0 0 0 0 21 60 1 0 0 0 0 22 27 2 0 0 0 0 22 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 28 2 0 0 0 0 24 64 1 0 0 0 0 25 29 2 0 0 0 0 25 65 1 0 0 0 0 26 28 1 0 0 0 0 26 66 1 0 0 0 0 27 29 1 0 0 0 0 27 67 1 0 0 0 0 28 68 1 0 0 0 0 29 69 1 0 0 0 0 30 31 1 0 0 0 0 30 33 1 0 0 0 0 30 35 1 0 0 0 0 30 70 1 0 0 0 0 31 32 1 0 0 0 0 31 34 2 0 0 0 0 33 36 2 0 0 0 0 33 40 1 0 0 0 0 34 37 1 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 36 41 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 37 74 1 0 0 0 0 38 42 1 0 0 0 0 38 75 1 0 0 0 0 39 43 2 0 0 0 0 39 76 1 0 0 0 0 41 77 1 0 0 0 0 41 78 1 0 0 0 0 41 79 1 0 0 0 0 42 44 2 0 0 0 0 43 44 1 0 0 0 0 43 80 1 0 0 0 0 44 81 1 0 0 0 0 45 82 1 0 0 0 0 45 83 1 0 0 0 0 45 84 1 0 0 0 0 M CHG 2 5 -1 9 1 M END > DB14068 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SVJMLYUFVDMUHP-MGBGTMOVSA-N/SDF?record_type=3d > [H]N1C(C)=C([C@@H](C2=CC(=CC=C2)[N+]([O-])=O)C(C(=O)OCCCN2CCC(CC2)(C2=CC=CC=C2)C2=CC=CC=C2)=C1C)C(=O)OC > InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m1/s1 > SVJMLYUFVDMUHP-MGBGTMOVSA-N > C36H39N3O6 > 609.723 > 609.283885988 > 7 > 84 > 66.91509011682427 > 0 > 1 > 0 > 0 > 3-[3-(4,4-diphenylpiperidin-1-yl)propyl] 5-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate > 6.27 > 5.599138836333333 > -6.73 > 1 > 5 > 1 > 19.46884207546011 > 9.588347299908476 > 111.00999999999999 > 185.8951 > 12 > 0 > 1.13e-04 g/l > 3-[3-(4,4-diphenylpiperidin-1-yl)propyl] 5-methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate > 0 $$$$