447339 -OEChem-10051719593D 40 43 0 0 0 0 0 0 0999 V2000 1.1289 0.8205 1.4524 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2934 0.7334 -1.8469 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 0.1854 1.9204 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9348 -1.2217 1.1140 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8892 0.8317 0.2643 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0518 0.3114 0.3809 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3318 -0.3621 0.3156 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5697 -2.4132 0.6435 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5903 -2.4221 -0.4895 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 1.4225 2.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3189 -0.0012 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3898 1.4443 1.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9715 -1.1735 0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9221 0.1184 -0.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7648 1.1821 -0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4335 1.9167 -0.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8253 1.7649 -0.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9192 -2.1198 -0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8665 0.5062 -1.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1577 0.8989 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8515 -1.7167 -1.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8274 -0.4275 -1.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 1.2004 -1.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2100 0.1758 -0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5144 -1.6548 0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1036 1.5127 3.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1598 2.2899 1.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9238 -0.5758 2.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6723 -2.0177 1.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3113 2.3514 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9989 2.0788 -1.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9359 -3.1198 0.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8561 1.5055 -1.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6090 -2.4209 -1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5653 -0.1436 -2.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1578 1.6554 -2.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3333 -1.9880 1.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6141 -3.4135 0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7299 -3.4218 -0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7446 -2.0465 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 28 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 4 29 1 0 0 0 0 5 11 2 0 0 0 0 5 14 1 0 0 0 0 6 20 1 0 0 0 0 6 24 2 0 0 0 0 7 24 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 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 12 16 2 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 19 2 0 0 0 0 15 17 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 21 1 0 0 0 0 18 32 1 0 0 0 0 19 22 1 0 0 0 0 19 33 1 0 0 0 0 20 23 2 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END > DB02616 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CKJGKHXCUDWFDC-UHFFFAOYSA-N/SDF?record_type=3d > NC(N)=NC1=NC(=CS1)C1=CC=C(CNC2=NC3=C(N2)C=CC=C3)S1 > InChI=1S/C16H15N7S2/c17-14(18)23-16-22-12(8-24-16)13-6-5-9(25-13)7-19-15-20-10-3-1-2-4-11(10)21-15/h1-6,8H,7H2,(H2,19,20,21)(H4,17,18,22,23) > CKJGKHXCUDWFDC-UHFFFAOYSA-N > C16H15N7S2 > 369.467 > 369.083034895 > 6 > 40 > 1.3158081042564906 > 39.87227422725083 > 1 > 4 > 0 > 1 > N''-[4-(5-{[(1H-1,3-benzodiazol-2-yl)amino]methyl}thiophen-2-yl)-1,3-thiazol-2-yl]guanidine > 3.23 > 3.0323900716666663 > -3.81 > 0 > 2 > 4 > 1 > 19.952283952951824 > 12.396850909891919 > 7.927218611209711 > 118.0 > 101.44250000000001 > 5 > 1 > 5.78e-02 g/l > tetrahydrofolic acid > 0 $$$$