4008 -OEChem-10061700343D 83 87 0 1 0 0 0 0 0999 V2000 1.9015 2.4177 -1.3421 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5662 1.8189 -2.8353 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5533 -1.7418 -0.4639 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -2.4361 1.5901 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8187 -2.3236 1.9020 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4340 -0.7534 2.7875 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3467 0.9384 -0.4005 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9415 2.3623 -1.1394 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8783 1.8705 1.5732 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -1.5700 1.8681 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6602 1.8201 0.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3874 0.3702 -1.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8997 2.9296 -0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6281 1.4799 -2.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0699 -0.1203 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2201 3.4218 -1.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2760 0.4087 1.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4418 -1.2753 -0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0842 2.8929 -2.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7012 -0.2318 2.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6597 -1.2612 -1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9565 1.5338 0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5654 -2.3482 -0.7785 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2534 0.0032 -0.4640 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8160 1.4720 -0.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -0.3070 0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1034 1.9145 -1.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1269 2.3232 0.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0466 -0.8884 -0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8069 0.2529 2.9256 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0008 -2.3200 -2.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0623 2.0185 1.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9066 -3.4069 -1.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4425 0.6086 1.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4874 1.3782 2.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1243 -3.3929 -2.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7157 3.7687 0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1839 -0.8158 0.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7886 -1.7891 -1.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8504 -1.6256 0.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3078 0.3890 2.8784 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0629 -1.6438 0.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6677 -2.6172 -1.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8049 -2.5444 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2510 -2.9809 -0.6268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9534 1.2507 1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 2.3046 1.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6589 -0.2816 -0.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 -0.1909 -2.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6122 3.5943 -0.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3673 3.5294 0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3279 2.0490 -2.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9099 0.9961 -2.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3953 -0.5452 1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8314 3.8864 -2.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0448 4.2133 -1.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9226 2.0934 -3.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6088 3.7148 -2.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1808 -1.1101 2.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3615 -0.4382 -1.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6636 2.0469 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -2.3840 -0.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8081 -0.1788 -1.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1384 -0.2461 3.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9467 -2.3071 -2.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5949 2.8921 0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2249 -4.2433 -1.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0796 2.5299 2.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3491 1.7548 3.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3896 -4.2169 -2.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5462 4.3826 0.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4321 4.1882 -0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 3.8851 1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3925 -0.1100 1.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4515 -1.8575 -2.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6915 0.3812 3.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8729 -0.5456 2.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0413 1.1980 2.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4669 -3.3182 -2.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0583 -3.2049 -0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7780 -2.9508 -1.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5424 -3.8147 -0.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9847 -3.1110 0.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 27 1 0 0 0 0 2 27 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 10 1 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 9 28 1 0 0 0 0 9 34 1 0 0 0 0 9 68 1 0 0 0 0 10 42 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 17 1 0 0 0 0 15 18 1 0 0 0 0 15 54 1 0 0 0 0 16 19 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 20 2 0 0 0 0 17 22 1 0 0 0 0 18 21 2 0 0 0 0 18 23 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 30 1 0 0 0 0 20 59 1 0 0 0 0 21 31 1 0 0 0 0 21 60 1 0 0 0 0 22 32 2 0 0 0 0 22 61 1 0 0 0 0 23 33 2 0 0 0 0 23 62 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 24 63 1 0 0 0 0 25 27 1 0 0 0 0 25 28 2 0 0 0 0 26 34 2 0 0 0 0 26 40 1 0 0 0 0 28 37 1 0 0 0 0 29 38 2 0 0 0 0 29 39 1 0 0 0 0 30 35 2 0 0 0 0 30 64 1 0 0 0 0 31 36 2 0 0 0 0 31 65 1 0 0 0 0 32 35 1 0 0 0 0 32 66 1 0 0 0 0 33 36 1 0 0 0 0 33 67 1 0 0 0 0 34 41 1 0 0 0 0 35 69 1 0 0 0 0 36 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 37 73 1 0 0 0 0 38 42 1 0 0 0 0 38 74 1 0 0 0 0 39 43 2 0 0 0 0 39 75 1 0 0 0 0 41 76 1 0 0 0 0 41 77 1 0 0 0 0 41 78 1 0 0 0 0 42 44 2 0 0 0 0 43 44 1 0 0 0 0 43 79 1 0 0 0 0 44 80 1 0 0 0 0 45 81 1 0 0 0 0 45 82 1 0 0 0 0 45 83 1 0 0 0 0 M CHG 2 5 -1 10 1 M END > DB09238 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ANEBWFXPVPTEET-UHFFFAOYSA-N/SDF?record_type=3d > COC(=O)C1=C(C)NC(C)=C(C1C1=CC(=CC=C1)N(=O)=O)C(=O)OCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3 > ANEBWFXPVPTEET-UHFFFAOYSA-N > C35H38N4O6 > 610.711 > 610.27913496 > 7 > 83 > 65.72120962981106 > 0 > 1 > 0 > 0 > 3-{2-[4-(diphenylmethyl)piperazin-1-yl]ethyl} 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate > 5.11 > 5.189971687666667 > -5.79 > 1 > 5 > 1 > 19.47111498556626 > 7.888432226108357 > 116.93 > 175.1293 > 12 > 0 > 9.95e-04 g/l > manidipine > 0 $$$$