5327109 -OEChem-10051721113D 50 52 0 0 0 0 0 0 0999 V2000 10.7629 0.3801 -1.2570 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.0590 -1.9444 -0.8882 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3624 -0.0286 0.3506 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7415 -3.1736 -0.1799 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8757 -1.9943 -2.0896 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -1.1175 -1.2403 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 -0.4247 0.3268 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4371 2.8939 -0.9007 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6633 -0.7964 -0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8454 -0.8456 0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2523 -0.7381 -0.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3696 0.3960 -0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0584 -0.3550 -0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9850 1.2197 0.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9309 -1.2615 1.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0557 -0.0709 0.9087 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0655 0.7912 2.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2996 0.8410 -1.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5396 -0.4449 2.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4944 2.4464 0.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3429 0.2551 1.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8410 2.0789 -1.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6963 0.2866 0.6921 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4534 -0.8815 0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1965 1.4835 0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7108 -0.8525 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4539 1.5125 -0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2110 0.3446 -0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9391 0.1723 0.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 -1.5549 0.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0066 -1.7011 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2101 0.0255 -1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5874 -0.4941 -2.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6546 -1.1341 1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1366 0.4331 -0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3342 -1.2951 -0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5309 -2.2138 1.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0123 -0.8592 1.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8285 0.8912 1.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5371 1.4164 2.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8217 0.3056 -2.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6041 -0.7698 3.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9806 3.1286 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1303 1.2212 1.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3185 -0.5111 2.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7994 2.4628 -2.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0733 -1.8205 0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6151 2.3995 0.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2895 -1.7704 -0.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8309 2.4523 -0.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 3 16 1 0 0 0 0 3 21 1 0 0 0 0 6 9 1 0 0 0 0 6 33 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 7 34 1 0 0 0 0 8 20 2 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 17 1 0 0 0 0 14 20 1 0 0 0 0 15 19 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 19 2 0 0 0 0 17 40 1 0 0 0 0 18 22 2 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 23 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 47 1 0 0 0 0 25 27 2 0 0 0 0 25 48 1 0 0 0 0 26 28 2 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 M END > DB07947 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AUHWQSZMVMMRLM-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC=C(COCCNCCNS(=O)(=O)C2=CC=CC3=CN=CC=C23)C=C1 > InChI=1S/C20H22ClN3O3S/c21-18-6-4-16(5-7-18)15-27-13-12-22-10-11-24-28(25,26)20-3-1-2-17-14-23-9-8-19(17)20/h1-9,14,22,24H,10-13,15H2 > AUHWQSZMVMMRLM-UHFFFAOYSA-N > C20H22ClN3O3S > 419.925 > 419.107039982 > 5 > 50 > 0.9626393231575221 > 44.08298283937516 > 1 > 2 > 0 > 1 > N-[2-({2-[(4-chlorophenyl)methoxy]ethyl}amino)ethyl]isoquinoline-5-sulfonamide > 2.09 > 2.3553397002872085 > -5.05 > 1 > 1 > 3 > 1 > 10.046892878636614 > 8.418993632241053 > 80.32000000000001 > 110.5912 > 9 > 1 > 3.72e-03 g/l > tetrahydrofolic acid > 0 $$$$