5311217 -OEChem-10051722063D 66 67 0 0 0 0 0 0 0999 V2000 -1.4375 -2.6678 -0.9238 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3741 2.4324 -0.3017 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 0.0467 0.2321 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4529 -2.6725 0.2154 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2751 3.4312 0.9798 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1811 -1.4805 -0.9852 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6791 1.1514 -1.8466 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5156 0.1897 -0.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6315 -0.7113 -0.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7804 1.6809 -0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3159 -0.0625 1.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -0.2097 -1.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8186 2.0914 -1.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -0.5535 1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3714 0.2050 2.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5817 -2.1287 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8879 2.6283 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7416 -1.0119 -2.2135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1459 3.5213 -1.6362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0437 -0.7765 3.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2193 -0.0179 3.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0126 -0.8429 0.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0119 -0.5087 3.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5568 -0.1985 -0.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2372 -0.2809 0.8722 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6901 0.6931 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1955 0.1534 -2.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9386 -1.6729 -0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2434 -4.0533 -0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3661 3.2859 0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3006 -0.6671 -0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0671 -4.5109 -1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4694 3.5172 -0.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6238 -0.0501 -0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4445 1.4939 -2.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3227 0.5878 1.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8114 -0.7958 -3.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5977 -2.0914 -2.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6984 -0.7542 -1.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0894 3.8132 -1.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3739 4.2247 -1.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2523 3.6408 -2.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9744 -1.1633 3.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0411 0.1902 4.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8136 -1.5747 0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8943 -0.6835 4.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4715 0.4518 1.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6043 0.5616 -0.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4001 1.7494 -0.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9186 0.4758 0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1017 0.2287 -2.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6765 1.1171 -2.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5608 -0.5812 -2.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9426 -1.8435 -0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2795 -2.3575 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9426 -1.9908 0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2178 -4.1900 0.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0693 -4.6377 -1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9454 4.2556 0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7675 2.7970 1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2406 -5.5716 -1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9038 -3.9342 -0.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0685 -4.3517 -2.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2586 4.1476 -0.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0723 3.9978 -1.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9075 2.5651 -1.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 29 1 0 0 0 0 2 17 1 0 0 0 0 2 30 1 0 0 0 0 3 24 1 0 0 0 0 3 31 1 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 6 31 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 34 1 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 14 22 1 0 0 0 0 15 21 1 0 0 0 0 15 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 21 44 1 0 0 0 0 22 25 2 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 25 31 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 32 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 33 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 M END > DB09236 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GKQPCPXONLDCMU-CCEZHUSRSA-N/SDF?record_type=3d > CCOC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1\C=C\C(=O)OC(C)(C)C)C(=O)OCC > InChI=1S/C26H33NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15,23,27H,8-9H2,1-7H3/b15-14+ > GKQPCPXONLDCMU-CCEZHUSRSA-N > C26H33NO6 > 455.551 > 455.230787787 > 4 > 66 > 49.7421774817729 > 1 > 1 > 0 > 1 > 3,5-diethyl 4-{2-[(1E)-3-(tert-butoxy)-3-oxoprop-1-en-1-yl]phenyl}-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate > 5.18 > 4.185153482666669 > -5.31 > 0 > 2 > 0 > 19.472693801249065 > -6.4243192556523665 > 90.93 > 129.9138 > 11 > 1 > 2.24e-03 g/l > lacidipine > 0 $$$$