General Information of the Compound
| Compound ID |
CP0576334
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| Compound Name |
6-(2,4-dichloro-3-fluorophenyl)-5-[4-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]phenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid;hydrochloride
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| Structure |
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| Formula |
C31H30Cl3F2NO2
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| Molecular Weight |
592.941
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| Canonical SMILES |
Cl.OC(=O)c1ccc2c(CCCC(c3ccc(Cl)c(F)c3Cl)=C2c2ccc(CC3CN(CCCF)C3)cc2)c1
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| InChI |
InChI=1S/C31H29Cl2F2NO2.ClH/c32-27-12-11-26(29(33)30(27)35)25-4-1-3-22-16-23(31(37)38)9-10-24(22)28(25)21-7-5-19(6-8-21)15-20-17-36(18-20)14-2-13-34;/h5-12,16,20H,1-4,13-15,17-18H2,(H,37,38);1H
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| InChIKey |
DFLWBXKVOIYRMM-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