General Information of the Compound
| Compound ID |
CP0370068
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| Compound Name |
5-(2-(2-(benzyloxy)-5-(trifluoromethyl)phenyl)cyclopent-1-enyl)nicotinic acid
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| Structure |
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| Formula |
C25H20F3NO3
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| Molecular Weight |
439.433
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| Canonical SMILES |
OC(=O)c1cncc(c1)C1=C(CCC1)c1cc(ccc1OCc1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C25H20F3NO3/c26-25(27,28)19-9-10-23(32-15-16-5-2-1-3-6-16)22(12-19)21-8-4-7-20(21)17-11-18(24(30)31)14-29-13-17/h1-3,5-6,9-14H,4,7-8,15H2,(H,30,31)
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| InChIKey |
HXDNFPGYTGXCFT-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