General Information of the Compound
| Compound ID |
CP0166277
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| Compound Name |
N-[3-[[1-(6-aminopyrimidin-4-yl)benzimidazol-2-yl]amino]-4-methylphenyl]-3-chloropyridine-4-carboxamide
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| Structure |
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| Formula |
C24H19ClN8O
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| Molecular Weight |
470.924
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccncc2Cl)cc1Nc1nc2ccccc2n1-c1cc(N)ncn1
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| InChI |
InChI=1S/C24H19ClN8O/c1-14-6-7-15(30-23(34)16-8-9-27-12-17(16)25)10-19(14)32-24-31-18-4-2-3-5-20(18)33(24)22-11-21(26)28-13-29-22/h2-13H,1H3,(H,30,34)(H,31,32)(H2,26,28,29)
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| InChIKey |
LOWUDHVVHHIQKL-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