General Information of the Compound
| Compound ID |
CP0140924
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| Compound Name |
N-[(1R,2R)-2-[[5-chloro-2-[(3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]cyclohexyl]-2,2,2-trifluoroacetamide
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| Structure |
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| Formula |
C24H30ClF3N6O
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| Molecular Weight |
510.992
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| Canonical SMILES |
CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(=O)C(F)(F)F)n3)cc2CC1
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| InChI |
InChI=1S/C24H30ClF3N6O/c1-2-34-11-9-15-7-8-17(13-16(15)10-12-34)30-23-29-14-18(25)21(33-23)31-19-5-3-4-6-20(19)32-22(35)24(26,27)28/h7-8,13-14,19-20H,2-6,9-12H2,1H3,(H,32,35)(H2,29,30,31,33)/t19-,20-/m1/s1
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| InChIKey |
MATHWQFCWXKDBA-WOJBJXKFSA-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