23653514 -OEChem-10051720553D 49 50 0 1 0 0 0 0 0999 V2000 -4.9048 -0.6235 0.3575 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2967 -0.0836 -2.0327 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9096 0.2491 0.9477 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1874 -1.3100 -0.8949 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7471 0.5033 -0.4121 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4257 -1.7793 1.5209 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9014 1.3068 -1.2710 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2159 0.4515 -1.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2014 2.4170 -0.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3332 0.6456 -0.9224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0967 1.7583 -0.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6415 -0.9288 0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8877 -0.1316 -0.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7852 -2.0732 0.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1563 0.0282 1.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4966 -0.0951 -0.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0191 2.1535 0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4269 0.2886 0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3441 -3.0733 -0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 1.0819 0.7528 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1899 1.4050 0.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -4.1756 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6367 1.9849 1.8671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5402 1.7407 -2.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5153 0.8582 -2.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0618 -0.6016 -2.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7687 2.7197 0.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 3.2898 -1.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5138 -1.3780 -0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4517 0.3642 0.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3675 -2.6051 1.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9004 -1.6717 1.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 0.5270 1.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6691 -0.5636 2.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6630 -0.9518 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8419 3.0210 1.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2252 -3.5198 -0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7722 -2.5675 -1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6429 1.7053 -0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9822 0.5895 0.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9107 1.7063 1.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1784 -4.8814 -0.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0219 -4.7316 1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -3.7618 0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1639 1.4060 2.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8097 2.5176 2.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3319 2.7286 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8091 -1.6883 2.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3141 -2.7519 1.2092 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 6 1 0 0 0 0 1 18 1 0 0 0 0 2 13 2 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 30 1 0 0 0 0 6 48 1 0 0 0 0 6 49 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 29 1 0 0 0 0 14 19 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 20 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 16 35 1 0 0 0 0 17 21 2 0 0 0 0 17 36 1 0 0 0 0 18 21 1 0 0 0 0 19 22 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 23 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 M END > DB07048 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XBYJCVDSFWJBSM-OAHLLOKOSA-N/SDF?record_type=3d > [H][C@]1(CC2=C(C1)C=C(C=C2)S(N)(=O)=O)NC(=O)C(CCC)CCC > InChI=1S/C17H26N2O3S/c1-3-5-12(6-4-2)17(20)19-15-9-13-7-8-16(23(18,21)22)11-14(13)10-15/h7-8,11-12,15H,3-6,9-10H2,1-2H3,(H,19,20)(H2,18,21,22)/t15-/m1/s1 > XBYJCVDSFWJBSM-OAHLLOKOSA-N > C17H26N2O3S > 338.465 > 338.166413398 > 3 > 49 > -0.0006484865916331637 > 37.629940243910596 > 1 > 2 > 0 > 1 > 2-propyl-N-[(2R)-5-sulfamoyl-2,3-dihydro-1H-inden-2-yl]pentanamide > 2.97 > 2.934005191333334 > -4.15 > 0 > 0 > 2 > 0 > 15.148498038895653 > 10.187800020497644 > -0.48346226206373144 > 89.25999999999999 > 91.47330000000001 > 7 > 1 > 2.37e-02 g/l > biotin > 0 $$$$