General Information of the Compound
| Compound ID |
CP0446601
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| Compound Name |
N-[(4-chlorophenyl)methyl]-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide
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| Structure |
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| Formula |
C21H18ClN5OS2
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| Molecular Weight |
455.996
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| Canonical SMILES |
Cc1nc(C)c(s1)-c1csc(Nc2ccc(cn2)C(=O)NCc2ccc(Cl)cc2)n1
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| InChI |
InChI=1S/C21H18ClN5OS2/c1-12-19(30-13(2)25-12)17-11-29-21(26-17)27-18-8-5-15(10-23-18)20(28)24-9-14-3-6-16(22)7-4-14/h3-8,10-11H,9H2,1-2H3,(H,24,28)(H,23,26,27)
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| InChIKey |
XTNDPQPYXZNJRD-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