General Information of the Compound
| Compound ID |
CP0200834
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| Compound Name |
2-[[5-chloro-2-[[(3S)-5,5-dimethyl-2-oxo-3-[(2,2,2-trifluoroacetyl)amino]-3,4-dihydro-1H-1-benzazepin-8-yl]amino]pyrimidin-4-yl]amino]-3-fluoro-N-methylbenzamide
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| Structure |
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| Formula |
C26H24ClF4N7O3
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| Molecular Weight |
593.969
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| Canonical SMILES |
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(NC(=O)[C@H](CC3(C)C)NC(=O)C(F)(F)F)c2)ncc1Cl
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| InChI |
InChI=1S/C26H24ClF4N7O3/c1-25(2)10-18(36-23(41)26(29,30)31)22(40)35-17-9-12(7-8-14(17)25)34-24-33-11-15(27)20(38-24)37-19-13(21(39)32-3)5-4-6-16(19)28/h4-9,11,18H,10H2,1-3H3,(H,32,39)(H,35,40)(H,36,41)(H2,33,34,37,38)/t18-/m0/s1
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| InChIKey |
GGJPKPHOWZDYAP-SFHVURJKSA-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