General Information of the Compound
| Compound ID |
CP0547549
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| Compound Name |
N-[(1R)-1-[5-chloro-6-[(6-methylpyridin-3-yl)amino]pyridin-3-yl]butyl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C21H22ClN5O
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| Molecular Weight |
395.894
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| Canonical SMILES |
CCC[C@@H](NC(=O)c1ccccn1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
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| InChI |
InChI=1S/C21H22ClN5O/c1-3-6-18(27-21(28)19-7-4-5-10-23-19)15-11-17(22)20(25-12-15)26-16-9-8-14(2)24-13-16/h4-5,7-13,18H,3,6H2,1-2H3,(H,25,26)(H,27,28)/t18-/m1/s1
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| InChIKey |
HYEZAIIGRMBBII-GOSISDBHSA-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