5289417 -OEChem-10051721233D 35 37 0 1 0 0 0 0 0999 V2000 0.7763 4.1464 0.7733 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8861 0.3508 1.1229 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1321 0.7322 -1.0539 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 -1.7943 0.7110 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7575 1.8906 0.0898 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9581 1.4177 -0.8051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4177 1.0032 0.0159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4784 3.3793 -0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4919 0.0634 -0.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9738 -0.3878 0.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1085 -0.1346 -0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9567 -1.0768 -0.9749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5064 -0.0109 0.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 -1.2274 1.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1494 -0.7534 -1.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9901 -1.5923 -0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4496 -2.3267 -0.6003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9993 -1.2608 0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4710 -2.4187 0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1273 1.9000 1.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 2.1500 -0.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6513 1.3874 -1.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1207 3.4414 -1.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3941 3.9744 -0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5008 0.4016 2.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7739 -1.4616 2.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1668 -1.0186 -1.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9223 0.8851 0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2984 -0.5902 -2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 4.0050 1.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4513 -2.4192 1.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8245 -2.1203 -1.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0392 -3.2281 -1.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7942 -1.3325 1.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 -3.3919 0.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 30 1 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 2 25 1 0 0 0 0 3 7 2 0 0 0 0 3 11 1 0 0 0 0 4 14 2 0 0 0 0 4 16 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 20 1 0 0 0 0 6 9 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 12 17 1 0 0 0 0 12 27 1 0 0 0 0 13 18 2 0 0 0 0 13 28 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 29 1 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 M CHG 1 4 1 M END > DB08575 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DCUCDCAIOMIBEA-GFCCVEGCSA-O/SDF?record_type=3d > [H][C@](CS)(CC1=CC=CC=C1)C1=NC2=C(N1)C=C[NH+]=C2 > InChI=1S/C15H15N3S/c19-10-12(8-11-4-2-1-3-5-11)15-17-13-6-7-16-9-14(13)18-15/h1-7,9,12,19H,8,10H2,(H,17,18)/p+1/t12-/m1/s1 > DCUCDCAIOMIBEA-GFCCVEGCSA-O > C15H16N3S > 270.373 > 270.106493217 > 1 > 35 > 0.04090750083963479 > 29.390735471993068 > 1 > 3 > 1 > 1 > 2-[(2S)-1-phenyl-3-sulfanylpropan-2-yl]-1H-imidazo[4,5-c]pyridin-5-ium > 0.64 > 2.9573893049999995 > -5.36 > 0 > 0 > 3 > 0 > 11.325483574137328 > 10.065600723066384 > 5.643108201679179 > 42.82 > 80.21170000000002 > 4 > 1 > 1.35e-03 g/l > tetrahydrofolic acid > 0 $$$$