General Information of the Compound
| Compound ID |
CP0036509
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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-methylmethanesulfonamide
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| Structure |
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| Formula |
C26H39ClN6O4S
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| Molecular Weight |
567.156
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| Canonical SMILES |
COCCN1CCc2cc(Nc3ncc(Cl)c(N[C@@H]4CCCC[C@H]4N(C)S(C)(=O)=O)n3)c(OC)cc2CC1
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| InChI |
InChI=1S/C26H39ClN6O4S/c1-32(38(4,34)35)23-8-6-5-7-21(23)29-25-20(27)17-28-26(31-25)30-22-15-18-9-11-33(13-14-36-2)12-10-19(18)16-24(22)37-3/h15-17,21,23H,5-14H2,1-4H3,(H2,28,29,30,31)/t21-,23-/m1/s1
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| InChIKey |
CDTMQKLFPXZZMW-FYYLOGMGSA-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