11574606 -OEChem-10051721073D 47 50 0 0 0 0 0 0 0999 V2000 5.9104 1.4310 -0.2826 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6123 1.1799 0.1906 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0528 0.7014 0.2496 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9236 1.8861 -1.6659 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0346 -1.0386 -0.2111 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1647 -2.5373 -0.0016 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0228 -1.8437 0.5822 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9168 -3.8673 -0.1303 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 -3.4392 -0.5612 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5894 2.7683 0.7314 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6952 1.4438 -0.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0232 1.1464 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6119 2.9009 -1.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3063 2.1259 1.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8996 3.8785 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2321 3.5748 0.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1952 -0.1061 0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7538 -0.2496 0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2775 -1.5047 0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5185 -2.2994 -0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1732 -1.0737 0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2981 -1.2500 1.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2138 -0.1169 -0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4756 0.4691 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4447 -0.4817 0.9913 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3602 0.6515 -0.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1103 -4.3494 -0.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6102 0.8343 -1.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0622 0.1347 0.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8346 1.2183 -0.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3324 3.0726 -1.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 3.1115 -1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5850 1.9676 1.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3006 1.9272 1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9099 4.9030 -0.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0925 3.8289 0.7275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0517 3.7711 -0.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3738 4.2489 1.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1757 0.6225 0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1818 -2.7902 0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2867 -1.9861 1.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3758 0.0324 -1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2992 -0.6359 1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3627 1.3858 -1.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2522 -5.4048 -0.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1438 2.8583 1.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3709 3.6658 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 10 1 0 0 0 0 1 24 1 0 0 0 0 2 11 1 0 0 0 0 2 17 1 0 0 0 0 5 17 2 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 7 40 1 0 0 0 0 8 27 2 0 0 0 0 9 20 2 0 0 0 0 9 27 1 0 0 0 0 10 46 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 22 41 1 0 0 0 0 23 26 2 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M END > DB07688 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RPJIMTALCNCQLV-UHFFFAOYSA-N/SDF?record_type=3d > NS(=O)(=O)C1=CC=C(NC2=CC(OC3CCCCC3)=NC3=NC=NN23)C=C1 > InChI=1S/C17H20N6O3S/c18-27(24,25)14-8-6-12(7-9-14)21-15-10-16(22-17-19-11-20-23(15)17)26-13-4-2-1-3-5-13/h6-11,13,21H,1-5H2,(H2,18,24,25) > RPJIMTALCNCQLV-UHFFFAOYSA-N > C17H20N6O3S > 388.444 > 388.131759226 > 7 > 47 > -0.0001745473848142218 > 39.18940188656587 > 1 > 2 > 0 > 1 > 4-{[5-(cyclohexyloxy)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino}benzene-1-sulfonamide > 2.86 > 2.5838569419999997 > -4.10 > 0 > 0 > 4 > 0 > 16.87289532615918 > 10.757926858033768 > -0.46782024492826074 > 124.5 > 111.29319999999998 > 5 > 1 > 3.11e-02 g/l > biotin > 0 $$$$