General Information of the Compound
| Compound ID |
CP0579196
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| Compound Name |
4-[[1-[4-(2,9-dichloro-5,5-dimethyl-6-oxopyrido[2,3-d][1]benzazepin-7-yl)phenyl]-3-fluoroazetidin-3-yl]methylamino]bicyclo[2.2.2]octane-1-carboxylic acid
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| Structure |
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| Formula |
C34H35Cl2FN4O3
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| Molecular Weight |
637.583
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| Canonical SMILES |
CC1(C)c2ncc(Cl)cc2-c2ccc(Cl)cc2N(c2ccc(cc2)N2CC(F)(CNC34CCC(CC3)(CC4)C(O)=O)C2)C1=O
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| InChI |
InChI=1S/C34H35Cl2FN4O3/c1-31(2)28-26(15-22(36)17-38-28)25-8-3-21(35)16-27(25)41(29(31)42)24-6-4-23(5-7-24)40-19-33(37,20-40)18-39-34-12-9-32(10-13-34,11-14-34)30(43)44/h3-8,15-17,39H,9-14,18-20H2,1-2H3,(H,43,44)
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| InChIKey |
YRPOFZVFXCGGNK-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