General Information of the Compound
| Compound ID |
CP0340577
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| Compound Name |
3-{[(4-chlorophenyl)methyl]sulfanyl}-5-(pyridin-4-ylamino)-1,2-thiazole-4-carboxamide
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| Structure |
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| Formula |
C16H13ClN4OS2
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| Molecular Weight |
376.894
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| Canonical SMILES |
NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1ccncc1
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| InChI |
InChI=1S/C16H13ClN4OS2/c17-11-3-1-10(2-4-11)9-23-16-13(14(18)22)15(24-21-16)20-12-5-7-19-8-6-12/h1-8H,9H2,(H2,18,22)(H,19,20)
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| InChIKey |
SVAHIJWZHJDMBM-UHFFFAOYSA-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