2826731 -OEChem-05201910553D 30 32 0 0 0 0 0 0 0999 V2000 0.9403 -1.5234 0.1711 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0684 -0.6178 0.0447 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7724 1.0357 -0.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5745 -0.2733 0.0688 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3788 -0.1164 0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0638 -0.0625 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4158 -0.6373 0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1234 0.7222 -0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1157 1.0294 0.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 -1.3141 -0.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1654 -0.2203 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7369 -1.1112 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 1.6378 -0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5094 0.9775 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4272 -1.3662 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7768 -0.1842 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5106 1.1730 -0.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3971 0.8510 -0.2550 C -1 0 0 0 0 0 0 0 0 0 0 0 -1.6270 1.9731 0.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5206 -2.2338 -0.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9404 -2.1723 0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9964 2.7002 -0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0556 1.8843 0.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9269 -2.3040 -0.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3282 1.8849 -0.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9879 -1.1960 -0.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1087 1.2972 -1.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3570 1.6163 0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4408 0.5312 -0.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0737 -1.5849 0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 16 1 0 0 0 0 2 30 1 0 0 0 0 3 6 2 0 0 0 0 3 8 1 0 0 0 0 4 11 1 0 0 0 0 4 18 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 19 1 0 0 0 0 10 15 2 0 0 0 0 10 20 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 12 21 1 0 0 0 0 13 17 2 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 17 25 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 M ISO 1 18 11 M END > DB15161 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZQAQXZBSGZUUNL-BJUDXGSMSA-N/SDF?record_type=3d > [11CH3]NC1=CC=C(C=C1)C1=NC2=C(S1)C=C(O)C=C2 > InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3/i1-1 > ZQAQXZBSGZUUNL-BJUDXGSMSA-N > C14H12N2OS > 255.32 > 255.078468006 > 3 > 30 > 28.123494887605176 > 1 > 2 > 0 > 1 > 2-{4-[(11C)methylamino]phenyl}-1,3-benzothiazol-6-ol > 4.11 > 3.307454820333333 > -4.20 > 0 > 3 > 0 > 9.227343260816161 > 3.651151228305502 > 45.150000000000006 > 84.405 > 2 > 1 > 1.62e-02 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$