General Information of the Compound
| Compound ID |
CP0242066
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| Compound Name |
2-(5-chloro-2-(5,5-dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)pyrimidin-4-ylamino)-N-methylbenzamide
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| Structure |
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| Formula |
C24H25ClN6O2
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| Molecular Weight |
464.957
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3NC(=O)CCC(C)(C)c3c2)ncc1Cl
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| InChI |
InChI=1S/C24H25ClN6O2/c1-24(2)11-10-20(32)29-19-9-8-14(12-16(19)24)28-23-27-13-17(25)21(31-23)30-18-7-5-4-6-15(18)22(33)26-3/h4-9,12-13H,10-11H2,1-3H3,(H,26,33)(H,29,32)(H2,27,28,30,31)
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| InChIKey |
FVAJHBVTGUIFMD-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