57751161 -OEChem-10051722413D 70 71 0 1 0 0 0 0 0999 V2000 3.6371 -0.4279 0.2583 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5213 -0.4993 1.6507 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6314 -0.7298 0.1681 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -0.8998 -0.2865 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -0.4450 -0.5680 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8313 -2.8577 -1.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5432 -2.3452 -0.3265 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5642 -2.8103 0.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8348 -4.4033 -1.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7859 -2.3589 -2.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2258 -2.3896 -2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2378 -2.2834 2.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4921 -0.0582 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2293 -2.8012 3.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2413 1.3954 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7531 -0.2758 0.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 0.2265 0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4546 2.1446 1.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7929 2.0210 -1.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2472 -0.5158 0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2194 3.5195 1.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5575 3.3960 -1.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 4.1452 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1842 1.4659 -0.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1588 -1.8461 0.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4927 -0.0188 -0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4495 4.3214 2.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0775 4.0650 -2.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4297 1.9628 -0.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5840 1.2204 -0.6999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5716 -1.7738 2.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8598 -0.1439 -0.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5702 -2.7595 -0.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 -3.9051 0.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6068 -2.6125 0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8935 -4.8013 -1.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2984 -1.2994 -2.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4305 -2.7621 -3.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 -2.7631 -1.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9519 -4.7846 -2.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6566 -4.8226 -1.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8954 -2.8786 -3.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9006 -1.2933 -3.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2338 -2.5455 -2.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -2.6220 2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -1.1944 2.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0573 -0.2096 -1.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9627 -2.4391 4.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2337 -3.8955 3.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2437 -2.4578 2.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8041 1.6560 2.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6402 1.4449 -2.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5876 5.2171 -0.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2972 2.0607 -0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8143 -2.5577 0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1639 -2.2957 0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2778 3.7198 3.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7645 5.1746 2.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 4.6951 2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4663 3.5637 -3.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4143 5.1062 -2.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0163 4.0485 -2.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4995 2.9287 -1.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5148 1.6709 -1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9308 -1.0837 3.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4878 -2.7626 2.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6067 -1.4373 2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6590 -0.8437 0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8937 -0.0232 -1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0677 0.7910 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 16 2 0 0 0 0 3 26 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 5 16 1 0 0 0 0 5 47 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 12 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 15 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 20 2 0 0 0 0 17 24 1 0 0 0 0 18 21 1 0 0 0 0 18 51 1 0 0 0 0 19 22 2 0 0 0 0 19 52 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 21 23 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 28 1 0 0 0 0 23 53 1 0 0 0 0 24 29 2 0 0 0 0 24 54 1 0 0 0 0 25 31 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 30 2 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 30 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 68 1 0 0 0 0 32 69 1 0 0 0 0 32 70 1 0 0 0 0 M END > DB12170 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LZWZPGLVHLSWQX-XMMPIXPASA-N/SDF?record_type=3d > CCC[C@@H](N(NC(=O)C1=CC=CC(OC)=C1CC)C(=O)C1=CC(C)=CC(C)=C1)C(C)(C)C > InChI=1S/C27H38N2O3/c1-9-12-24(27(5,6)7)29(26(31)20-16-18(3)15-19(4)17-20)28-25(30)22-13-11-14-23(32-8)21(22)10-2/h11,13-17,24H,9-10,12H2,1-8H3,(H,28,30)/t24-/m1/s1 > LZWZPGLVHLSWQX-XMMPIXPASA-N > C27H38N2O3 > 438.612 > 438.288243092 > 3 > 70 > 50.8649127387127 > 1 > 1 > 0 > 0 > N'-(3,5-dimethylbenzoyl)-N'-[(3R)-2,2-dimethylhexan-3-yl]-2-ethyl-3-methoxybenzohydrazide > 5.50 > 7.14541892366667 > -5.94 > 0 > 2 > 0 > 9.870409772781791 > -2.4304827236963815 > 58.64 > 131.44339999999997 > 9 > 0 > 5.01e-04 g/l > N'-(3,5-dimethylbenzoyl)-N'-[(3R)-2,2-dimethylhexan-3-yl]-2-ethyl-3-methoxybenzohydrazide > 0 $$$$