General Information of the Compound
| Compound ID |
CP0290762
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| Compound Name |
N-[(1R,2R)-2-[[5-chloro-2-[[7-methoxy-3-(2-methoxyethyl)-1,2,4,5-tetrahydro-3-benzazepin-8-yl]amino]pyrimidin-4-yl]amino]cyclohexyl]-N-ethylmethanesulfonamide
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| Structure |
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| Formula |
C27H41ClN6O4S
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| Molecular Weight |
581.183
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| Canonical SMILES |
CCN([C@@H]1CCCC[C@H]1Nc1nc(Nc2cc3CCN(CCOC)CCc3cc2OC)ncc1Cl)S(C)(=O)=O
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| InChI |
InChI=1S/C27H41ClN6O4S/c1-5-34(39(4,35)36)24-9-7-6-8-22(24)30-26-21(28)18-29-27(32-26)31-23-16-19-10-12-33(14-15-37-2)13-11-20(19)17-25(23)38-3/h16-18,22,24H,5-15H2,1-4H3,(H2,29,30,31,32)/t22-,24-/m1/s1
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| InChIKey |
LIWMTOPLJLFZKX-ISKFKSNPSA-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