General Information of the Compound
| Compound ID |
CP0725538
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| Compound Name |
2-(6-{[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)sulfonyl]amino}-2,3-dihydro-1H-inden-1-ylidene)hydrazinecarboximidamide hydrochloride
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| Structure |
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| Formula |
C15H15Cl2N7O2S2
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| Molecular Weight |
460.372
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| Canonical SMILES |
Cl.N=C(N)N/N=C1\CCc2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc21
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| InChI |
InChI=1S/C15H14ClN7O2S2.ClH/c16-12-13(23-5-6-26-15(23)19-12)27(24,25)22-9-3-1-8-2-4-11(10(8)7-9)20-21-14(17)18;/h1,3,5-7,22H,2,4H2,(H4,17,18,21);1H/b20-11+;
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| InChIKey |
RMECWUFHGCJKPR-DOELHFPHSA-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