General Information of the Compound
| Compound ID |
CP0880982
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| Compound Name |
4-[4-(4-hydroxypiperidin-4-yl)phenyl]-7-[4-(trifluoromethyl)phenyl]-2-naphthoic acid
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| Structure |
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| Formula |
C29H24F3NO3
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| Molecular Weight |
491.509
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| Canonical SMILES |
O=C(O)c1cc(-c2ccc(C3(O)CCNCC3)cc2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2c1
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| InChI |
InChI=1S/C29H24F3NO3/c30-29(31,32)24-8-1-18(2-9-24)20-5-10-25-21(15-20)16-22(27(34)35)17-26(25)19-3-6-23(7-4-19)28(36)11-13-33-14-12-28/h1-10,15-17,33,36H,11-14H2,(H,34,35)
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| InChIKey |
KUYQFQSOXLDBGT-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