General Information of the Compound
| Compound ID |
CP0140927
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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]acetamide
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| Structure |
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| Formula |
C24H33ClN6O
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| Molecular Weight |
457.022
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| Canonical SMILES |
CCN1CCc2ccc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NC(C)=O)n3)cc2CC1
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| InChI |
InChI=1S/C24H33ClN6O/c1-3-31-12-10-17-8-9-19(14-18(17)11-13-31)28-24-26-15-20(25)23(30-24)29-22-7-5-4-6-21(22)27-16(2)32/h8-9,14-15,21-22H,3-7,10-13H2,1-2H3,(H,27,32)(H2,26,28,29,30)/t21-,22-/m1/s1
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| InChIKey |
PCAABRMAORWYHN-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