General Information of the Compound
| Compound ID |
CP0570968
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| Compound Name |
4-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]phenyl]-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Formula |
C31H23F6NO3
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| Molecular Weight |
571.517
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| Canonical SMILES |
OC(=O)c1cc(-c2ccc(cc2)C2CCN(CC2)C(=O)C(F)(F)F)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C31H23F6NO3/c32-30(33,34)25-8-5-19(6-9-25)22-7-10-26-23(15-22)16-24(28(39)40)17-27(26)21-3-1-18(2-4-21)20-11-13-38(14-12-20)29(41)31(35,36)37/h1-10,15-17,20H,11-14H2,(H,39,40)
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| InChIKey |
GDHQNTDJCJARCQ-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