General Information of the Compound
| Compound ID |
CP0571275
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| Compound Name |
6-[3-chloro-2-(trifluoromethyl)phenyl]-5-[4-[[1-(3-fluoropropyl)azetidin-3-yl]methyl]phenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
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| Formula |
C32H30ClF4NO2
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| Molecular Weight |
572.042
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| Canonical SMILES |
OC(=O)c1ccc2c(CCCC(c3cccc(Cl)c3C(F)(F)F)=C2c2ccc(CC3CN(CCCF)C3)cc2)c1
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| InChI |
InChI=1S/C32H30ClF4NO2/c33-28-7-2-6-27(30(28)32(35,36)37)26-5-1-4-23-17-24(31(39)40)12-13-25(23)29(26)22-10-8-20(9-11-22)16-21-18-38(19-21)15-3-14-34/h2,6-13,17,21H,1,3-5,14-16,18-19H2,(H,39,40)
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| InChIKey |
RSMHOHCZVRCTFJ-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