General Information of the Compound
| Compound ID |
CP0152147
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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]methanesulfonamide
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| Structure |
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| Formula |
C24H35ClN6O3S
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| Molecular Weight |
523.103
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| Canonical SMILES |
COCCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)cc2CC1
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| InChI |
InChI=1S/C24H35ClN6O3S/c1-34-14-13-31-11-9-17-7-8-19(15-18(17)10-12-31)27-24-26-16-20(25)23(29-24)28-21-5-3-4-6-22(21)30-35(2,32)33/h7-8,15-16,21-22,30H,3-6,9-14H2,1-2H3,(H2,26,27,28,29)/t21-,22-/m1/s1
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| InChIKey |
XJBVBERAWLJSDE-FGZHOGPDSA-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