5288712 -OEChem-10051721153D 40 42 0 0 0 0 0 0 0999 V2000 -4.8451 0.0946 0.7108 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2124 -2.7406 -0.4124 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9892 1.3133 1.5011 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4315 -1.1484 1.1987 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2313 -1.5138 -0.4072 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9685 -0.9622 0.0476 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3684 0.3988 -0.8099 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1684 0.9511 -2.3036 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5497 0.7305 -0.0646 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4192 0.6028 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3009 -0.3332 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5668 -0.1661 -0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8493 -1.7078 -0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9995 -0.0807 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 1.9678 0.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8324 0.3861 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4047 -0.7127 0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1380 -0.2160 0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7838 2.5479 0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9332 1.7646 -0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3235 -1.7632 0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 0.5876 0.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6873 -1.5153 0.2832 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2248 0.8355 0.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6169 0.6796 -1.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9138 -2.2434 -0.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7171 0.9489 0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6331 2.5818 0.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7166 -0.2183 -0.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -1.9318 -0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8888 3.6193 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9100 2.2410 -0.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9866 -2.7806 -0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2023 1.4460 0.5072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3800 -2.3491 0.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5546 1.8559 0.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5998 0.9504 -3.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1551 1.1603 -2.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5194 0.9492 -0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3234 0.5577 0.9078 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 7 1 0 0 0 0 1 18 1 0 0 0 0 2 13 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 26 1 0 0 0 0 6 14 1 0 0 0 0 6 17 1 0 0 0 0 6 30 1 0 0 0 0 7 25 2 0 0 0 0 8 25 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 25 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 16 2 0 0 0 0 14 27 1 0 0 0 0 15 19 1 0 0 0 0 15 28 1 0 0 0 0 16 20 1 0 0 0 0 16 29 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 24 2 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 M END > DB08126 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DMCRNUMVSATRTP-LCYFTJDESA-N/SDF?record_type=3d > NC(=N)NS(=O)(=O)C1=CC=C(N\C=C2/C(=O)NC3=C2C=CC=C3)C=C1 > InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,19H,(H,20,22)(H4,17,18,21)/b13-9- > DMCRNUMVSATRTP-LCYFTJDESA-N > C16H15N5O3S > 357.387 > 357.089560061 > 6 > 40 > 0.09153737988541621 > 36.03680606535934 > 1 > 5 > 0 > 1 > N-[4-({[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}amino)benzenesulfonyl]guanidine > 0.94 > 0.8369023179999997 > -3.98 > 0 > 0 > 3 > 0 > 11.248303582720043 > 10.304614360278809 > 6.006211319589833 > 137.17000000000002 > 106.92559999999999 > 3 > 1 > 3.76e-02 g/l > biotin > 0 $$$$