General Information of the Compound
| Compound ID |
CP0754497
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| Compound Name |
2-(6-{[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl]amino}-3,3-dimethyl-2,3-dihydro-1H-inden-1-ylidene)hydrazinecarboximidamide hydrochloride
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| Structure |
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| Formula |
C17H19Cl2N7O2S2
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| Molecular Weight |
488.426
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| Canonical SMILES |
CC1(C)C/C(=N\NC(=N)N)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc21.Cl
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| InChI |
InChI=1S/C17H18ClN7O2S2.ClH/c1-17(2)8-12(22-23-15(19)20)10-7-9(3-4-11(10)17)24-29(26,27)14-13(18)21-16-25(14)5-6-28-16;/h3-7,24H,8H2,1-2H3,(H4,19,20,23);1H/b22-12+;
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| InChIKey |
UWUHWESFQAUGMF-RSRKELGKSA-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