General Information of the Compound
| Compound ID |
CP0036600
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| Compound Name |
3-chloro-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 |
C24H24Cl2N6O2
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| Molecular Weight |
499.402
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| Canonical SMILES |
CNC(=O)c1cccc(Cl)c1Nc1nc(Nc2ccc3NC(=O)CCC(C)(C)c3c2)ncc1Cl
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| InChI |
InChI=1S/C24H24Cl2N6O2/c1-24(2)10-9-19(33)30-18-8-7-13(11-15(18)24)29-23-28-12-17(26)21(32-23)31-20-14(22(34)27-3)5-4-6-16(20)25/h4-8,11-12H,9-10H2,1-3H3,(H,27,34)(H,30,33)(H2,28,29,31,32)
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| InChIKey |
CXVYNVKRAHOLMU-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