60602 -OEChem-10051722063D 84 88 0 1 0 0 0 0 0999 V2000 2.0192 -2.5460 -0.7724 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0301 -3.1562 -1.7438 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3602 1.6124 -0.4338 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3682 2.6740 1.3684 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0949 2.9531 -3.0631 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0132 2.2445 -3.8613 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0652 -1.5688 -1.2351 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9254 -1.5841 2.3473 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1786 2.3348 -2.9286 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5107 -0.3276 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1109 -0.1809 -1.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8222 -1.6631 0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6043 -0.3071 -1.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3167 -1.7008 0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0503 0.8402 0.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0607 -0.4026 0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6349 -1.6729 -1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1955 -3.1333 -1.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7606 0.6040 2.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8391 0.3250 -0.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9253 2.1266 0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6742 -1.1980 1.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2961 -3.2722 -1.7717 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3463 1.6540 3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2307 0.2576 -0.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5107 3.1767 1.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0658 -1.2654 1.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2213 2.9403 2.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8440 -0.5376 0.2483 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2439 -0.3223 -0.0975 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9588 -1.7983 0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3678 -2.5856 -0.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0822 0.3512 0.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2805 -2.3499 1.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9533 0.4221 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3607 -0.2827 2.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9983 -3.7710 1.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6679 1.0265 -1.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0404 0.5100 0.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6060 1.6927 0.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1307 0.3050 3.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4696 1.7192 -1.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8422 1.2025 0.5926 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5567 1.8071 -0.6317 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9446 2.8468 -0.8619 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4287 0.7656 -1.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6168 -0.9662 -2.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9832 -1.9222 1.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2865 -2.4953 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4572 -0.2567 -2.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 0.5492 -1.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7946 -0.9237 0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9517 -2.6641 0.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0511 -1.0757 -0.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4195 -1.2823 -2.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7554 -3.7101 -2.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3947 -3.5813 -0.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 -0.3646 2.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4167 0.9824 -1.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1563 2.3595 -0.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1064 -1.7658 1.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5806 -4.3298 -1.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 -2.8723 -2.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1283 1.4724 4.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8375 0.8300 -1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4168 4.1792 0.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5440 -1.8811 1.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9009 3.7584 3.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9275 -0.5880 0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8307 -0.3054 -1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1479 -2.0282 3.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3687 -3.7891 2.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 -4.3427 1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9347 -4.2924 2.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3931 0.9464 -2.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2367 0.0477 1.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9309 -0.3779 3.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6058 1.2603 3.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4657 0.4597 4.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1301 1.2695 1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3854 2.3404 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1617 3.5735 -1.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6140 3.2376 -0.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5277 2.6514 -1.7657 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 > DB09239 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SVJMLYUFVDMUHP-XIFFEERXSA-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-/m0/s1 > SVJMLYUFVDMUHP-XIFFEERXSA-N > C36H39N3O6 > 609.723 > 609.283885988 > 6 > 84 > 66.1540718920336 > 0 > 1 > 0 > 0 > 3-[3-(4,4-diphenylpiperidin-1-yl)propyl] 5-methyl (4S)-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 (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate > 0 $$$$