General Information of the Compound
| Compound ID |
CP0544794
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| Compound Name |
6-(2,4-dichlorophenyl)-5-[3,5-difluoro-4-[[1-(3-fluoropropyl)azetidin-3-ylidene]methyl]phenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid;hydrochloride
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| Structure |
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| Formula |
C31H27Cl3F3NO2
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| Molecular Weight |
608.915
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| Canonical SMILES |
Cl.OC(=O)c1ccc2c(CCCC(c3ccc(Cl)cc3Cl)=C2c2cc(F)c(C=C3CN(CCCF)C3)c(F)c2)c1
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| InChI |
InChI=1S/C31H26Cl2F3NO2.ClH/c32-22-6-8-24(27(33)15-22)25-4-1-3-19-12-20(31(38)39)5-7-23(19)30(25)21-13-28(35)26(29(36)14-21)11-18-16-37(17-18)10-2-9-34;/h5-8,11-15H,1-4,9-10,16-17H2,(H,38,39);1H
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| InChIKey |
KDUPLHUDIMWTQE-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