General Information of the Compound
| Compound ID |
CP0445143
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| Compound Name |
4-[1-[2-(2-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidin-2-yl]benzoic acid
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| Structure |
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| Formula |
C26H22F4N2O3
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| Molecular Weight |
486.465
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| Canonical SMILES |
OC(=O)c1ccc(cc1)C1CCCN1C(=O)C(Nc1ccccc1F)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H22F4N2O3/c27-20-4-1-2-5-21(20)31-23(17-11-13-19(14-12-17)26(28,29)30)24(33)32-15-3-6-22(32)16-7-9-18(10-8-16)25(34)35/h1-2,4-5,7-14,22-23,31H,3,6,15H2,(H,34,35)
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| InChIKey |
FTMYPUJRMIYMQK-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