446399 -OEChem-10051719433D 61 65 0 0 0 0 0 0 0999 V2000 -3.6195 6.0447 1.0167 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.2228 -2.1800 -0.8994 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4814 -2.9031 2.1606 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1363 -2.9434 -0.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3990 -2.0991 -2.3333 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0779 -2.9157 0.3101 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5873 -0.1198 0.0299 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6186 -2.6805 -0.5645 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8425 2.5323 -0.4026 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3311 -1.9140 0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7085 -2.3209 0.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1545 -0.4017 0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8241 -1.5669 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2710 0.3439 -0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -2.6224 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2111 -2.5961 -1.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9808 -3.6623 0.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5467 -1.8689 -1.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3167 -2.9369 0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6672 0.7599 -0.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1702 -0.5341 -0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7860 0.4120 -0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6641 2.0169 0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7976 0.5045 -1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5018 -0.3089 1.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7509 1.8198 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0878 2.0671 0.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4613 0.9917 1.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8288 1.3178 -0.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7569 2.8511 0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3778 2.8953 -1.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0416 3.3826 1.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3372 4.1959 -0.9311 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6684 4.4392 0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3151 -2.2293 -0.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8581 -3.4013 0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7923 -2.1095 1.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1526 -0.1073 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1846 -0.0925 -0.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7735 -1.8248 0.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8789 -1.8978 -1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1892 0.1805 -1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1326 1.4172 -0.2576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2403 -3.5478 -1.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5479 -1.9727 -1.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7318 -3.8203 2.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0367 -4.6480 0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4589 -0.8932 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7728 -1.7229 -2.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0937 -3.5634 1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -1.9900 1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8539 -0.5365 -1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8328 2.3378 1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5375 0.3141 -2.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7918 -1.1171 1.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7235 1.1582 2.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7078 1.0837 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7897 3.8284 0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1147 2.7286 -2.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2997 3.5811 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0450 5.0094 -1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 21 1 0 0 0 0 3 15 2 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 29 2 0 0 0 0 9 30 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 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 16 18 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 19 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 29 1 0 0 0 0 22 52 1 0 0 0 0 23 30 2 0 0 0 0 23 53 1 0 0 0 0 24 26 1 0 0 0 0 24 54 1 0 0 0 0 25 28 2 0 0 0 0 25 55 1 0 0 0 0 26 27 2 0 0 0 0 26 31 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 31 33 2 0 0 0 0 31 59 1 0 0 0 0 32 34 2 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 M END > DB01836 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZLAKCKVFSRSENR-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC=C2C=C(C=CC2=C1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)C1=CC=NC=C1 > InChI=1S/C25H27ClN4O3S/c26-22-3-1-21-18-24(4-2-20(21)17-22)34(32,33)30-15-13-29(14-16-30)25(31)19-7-11-28(12-8-19)23-5-9-27-10-6-23/h1-6,9-10,17-19H,7-8,11-16H2 > ZLAKCKVFSRSENR-UHFFFAOYSA-N > C25H27ClN4O3S > 499.025 > 498.149239147 > 5 > 61 > 0.9813599103411736 > 51.64954078813839 > 1 > 0 > 0 > 0 > 1-[(6-chloronaphthalen-2-yl)sulfonyl]-4-[1-(pyridin-4-yl)piperidine-4-carbonyl]piperazine > 2.97 > 2.854237673666667 > -4.16 > 0 > 1 > 5 > 1 > 8.721379640089557 > 73.82000000000001 > 133.65349999999995 > 3 > 1 > 3.43e-02 g/l > biotin > 0 $$$$