General Information of the Compound
| Compound ID |
CP0347900
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| Compound Name |
N-[(1R,2R)-2-[[5-chloro-2-[[3-(2-methoxyethyl)-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 |
C25H32ClF3N6O2
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| Molecular Weight |
541.018
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| Canonical SMILES |
COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(=O)C(F)(F)F)n3)cc2CC1
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| InChI |
InChI=1S/C25H32ClF3N6O2/c1-37-13-12-35-10-8-16-6-7-18(14-17(16)9-11-35)31-24-30-15-19(26)22(34-24)32-20-4-2-3-5-21(20)33-23(36)25(27,28)29/h6-7,14-15,20-21H,2-5,8-13H2,1H3,(H,33,36)(H2,30,31,32,34)/t20-,21-/m1/s1
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| InChIKey |
CTOIWJDYNIQZEG-NHCUHLMSSA-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