General Information of the Compound
| Compound ID |
CP0038262
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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]methanesulfonamide
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| Structure |
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| Formula |
C25H37ClN6O4S
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| Molecular Weight |
553.129
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| Canonical SMILES |
COCCN1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4NS(C)(=O)=O)n3)c(OC)cc2CC1
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| InChI |
InChI=1S/C25H37ClN6O4S/c1-35-13-12-32-10-8-17-14-22(23(36-2)15-18(17)9-11-32)29-25-27-16-19(26)24(30-25)28-20-6-4-5-7-21(20)31-37(3,33)34/h14-16,20-21,31H,4-13H2,1-3H3,(H2,27,28,29,30)/t20-,21-/m1/s1
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| InChIKey |
CABVNJHMFKAWPR-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