General Information of the Compound
| Compound ID |
CP0579280
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| Compound Name |
6-(3-chloro-2-methylphenyl)-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 |
C32H34Cl2FNO2
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| Molecular Weight |
554.533
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| Canonical SMILES |
Cl.Cc1c(Cl)cccc1C1=C(c2ccc(CC3CN(CCCF)C3)cc2)c2ccc(cc2CCC1)C(O)=O
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| InChI |
InChI=1S/C32H33ClFNO2.ClH/c1-21-27(6-3-8-30(21)33)29-7-2-5-25-18-26(32(36)37)13-14-28(25)31(29)24-11-9-22(10-12-24)17-23-19-35(20-23)16-4-15-34;/h3,6,8-14,18,23H,2,4-5,7,15-17,19-20H2,1H3,(H,36,37);1H
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| InChIKey |
VJGPDWLTBIWJPX-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