General Information of the Compound
| Compound ID |
CP0346930
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| Compound Name |
2-[[5-chloro-2-[(1-ethyl-6-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide
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| Structure |
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| Formula |
C25H29ClN6O4S
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| Molecular Weight |
545.065
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| Canonical SMILES |
CCN1c2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N(C)C)n3)c(OC)c2CCCC1=O
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| InChI |
InChI=1S/C25H29ClN6O4S/c1-5-32-20-14-13-19(23(36-4)16(20)9-8-12-22(32)33)29-25-27-15-17(26)24(30-25)28-18-10-6-7-11-21(18)37(34,35)31(2)3/h6-7,10-11,13-15H,5,8-9,12H2,1-4H3,(H2,27,28,29,30)
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| InChIKey |
NXKBBURYGABXCP-UHFFFAOYSA-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