6918540 -OEChem-10051722423D 62 63 0 0 0 0 0 0 0999 V2000 2.6398 -0.7090 1.5698 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0354 -1.5163 -1.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1334 0.7911 -0.5444 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1522 -0.9625 0.2395 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2329 0.1469 0.6373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1519 -0.2070 2.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6954 0.2115 0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5404 1.4920 0.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9703 -1.4463 2.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5021 -1.0308 0.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8686 2.1362 -0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4168 -1.3236 2.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4765 -0.8788 -0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6449 3.6647 -1.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1142 1.4974 -2.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2126 4.0879 -0.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4326 2.1282 -3.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8586 -1.8064 -0.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1576 -1.7928 0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5277 -2.6679 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1256 -2.6411 -0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4959 -3.5159 -1.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7948 -3.5025 -1.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1684 0.7240 0.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6524 1.8594 1.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7757 3.0875 1.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 2.1741 1.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5539 0.6336 2.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1283 -0.3430 2.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1897 1.0906 0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 0.2907 -0.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4543 1.4660 0.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8969 2.1908 1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9477 -1.5918 3.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 -2.3376 2.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5521 -0.8732 0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1715 -1.9105 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 2.0585 -1.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9574 -2.2496 2.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9130 -0.5204 2.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9756 4.1043 -1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2901 4.1206 -0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0316 1.5099 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3999 0.4508 -2.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1735 -0.3697 0.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 3.7924 0.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1312 5.1786 -0.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4986 3.6683 -1.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5123 2.2247 -3.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 1.4988 -4.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9672 3.1116 -3.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4482 -2.7448 -1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1443 -2.6468 0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2401 -4.1871 -2.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5485 -4.1626 -1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 1.5744 2.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1065 3.9238 1.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 2.8618 1.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7953 3.4132 0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7416 1.2876 1.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4868 2.9693 1.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2529 2.4965 0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 24 1 0 0 0 0 2 13 2 0 0 0 0 3 24 2 0 0 0 0 4 13 1 0 0 0 0 4 18 1 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 9 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 10 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 11 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 12 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 52 1 0 0 0 0 21 23 1 0 0 0 0 21 53 1 0 0 0 0 22 23 2 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 M END > DB12181 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YZQLWPMZQVHJED-UHFFFAOYSA-N/SDF?record_type=3d > CCC(CC)CC1(CCCCC1)C(=O)NC1=CC=CC=C1SC(=O)C(C)C > InChI=1S/C23H35NO2S/c1-5-18(6-2)16-23(14-10-7-11-15-23)22(26)24-19-12-8-9-13-20(19)27-21(25)17(3)4/h8-9,12-13,17-18H,5-7,10-11,14-16H2,1-4H3,(H,24,26) > YZQLWPMZQVHJED-UHFFFAOYSA-N > C23H35NO2S > 389.6 > 389.238850545 > 2 > 62 > 45.05545560438216 > 1 > 1 > 0 > 0 > 1-(2-ethylbutyl)-N-{2-[(2-methylpropanoyl)sulfanyl]phenyl}cyclohexane-1-carboxamide > 6.24 > 7.92110407 > -6.00 > 0 > 2 > 0 > 12.651645756182742 > -1.8590719973189564 > 46.17 > 116.3539 > 9 > 0 > 3.92e-04 g/l > dalcetrapib > 0 $$$$