General Information of the Compound
| Compound ID |
CP0546149
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| Compound Name |
6-[2,5-bis(trifluoromethyl)phenyl]-5-[4-[[1-(3-fluoropropyl)azetidin-3-ylidene]methyl]phenyl]-8,9-dihydro-7H-benzo[7]annulene-2-carboxylic acid
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| Formula |
C33H28F7NO2
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| Molecular Weight |
603.578
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| Canonical SMILES |
OC(=O)c1ccc2c(CCCC(c3cc(ccc3C(F)(F)F)C(F)(F)F)=C2c2ccc(C=C3CN(CCCF)C3)cc2)c1
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| InChI |
InChI=1S/C33H28F7NO2/c34-13-2-14-41-18-21(19-41)15-20-5-7-22(8-6-20)30-26-11-9-24(31(42)43)16-23(26)3-1-4-27(30)28-17-25(32(35,36)37)10-12-29(28)33(38,39)40/h5-12,15-17H,1-4,13-14,18-19H2,(H,42,43)
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| InChIKey |
NYCOIGHLLKSAJP-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