General Information of the Compound
| Compound ID |
CP0725536
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| Compound Name |
(+/-)-2-(6-{[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl]amino}-2-methyl-2,3-dihydro-1H-inden-1-ylidene)hydrazinecarboximidamide hydrochloride
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| Structure |
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| Formula |
C16H17Cl2N7O2S2
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| Molecular Weight |
474.399
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| Canonical SMILES |
CC1Cc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc2/C1=N/NC(=N)N.Cl
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| InChI |
InChI=1S/C16H16ClN7O2S2.ClH/c1-8-6-9-2-3-10(7-11(9)12(8)21-22-15(18)19)23-28(25,26)14-13(17)20-16-24(14)4-5-27-16;/h2-5,7-8,23H,6H2,1H3,(H4,18,19,22);1H/b21-12+;
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| InChIKey |
SUNSKOAZJKDHEO-BFVDCFMLSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound