General Information of the Compound
| Compound ID |
CP0917557
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| Compound Name |
(RS)-3-(1-(2-(2-fluorophenylamino)-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 |
O=C(O)c1cccc(C2CCCN2C(=O)C(Nc2ccccc2F)c2ccc(C(F)(F)F)cc2)c1
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| InChI |
InChI=1S/C26H22F4N2O3/c27-20-7-1-2-8-21(20)31-23(16-10-12-19(13-11-16)26(28,29)30)24(33)32-14-4-9-22(32)17-5-3-6-18(15-17)25(34)35/h1-3,5-8,10-13,15,22-23,31H,4,9,14H2,(H,34,35)
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| InChIKey |
BQAFKNGELRVDNI-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