General Information of the Compound
| Compound ID |
CP0502974
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| Compound Name |
4-{[(2S,4S)-4-fluoro-1-[2-(4-{[(2-methylphenyl)carbamoyl]amino}-3-(trifluoromethyl)phenyl)acetyl]pyrrolidin-2-yl]methoxy}benzoic acid
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| Structure |
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| Formula |
C29H27F4N3O5
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| Molecular Weight |
573.543
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| Canonical SMILES |
Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)cc1C(F)(F)F
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| InChI |
InChI=1S/C29H27F4N3O5/c1-17-4-2-3-5-24(17)34-28(40)35-25-11-6-18(12-23(25)29(31,32)33)13-26(37)36-15-20(30)14-21(36)16-41-22-9-7-19(8-10-22)27(38)39/h2-12,20-21H,13-16H2,1H3,(H,38,39)(H2,34,35,40)/t20-,21-/m0/s1
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| InChIKey |
GWZJIEHVGSRWQJ-SFTDATJTSA-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