General Information of the Compound
| Compound ID |
CP0551829
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| Compound Name |
4-{[(2S,4S)-4-fluoro-1-[2-(4-{[(2-methylphenyl)carbamoyl]amino}-3-(propan-2-yl)phenyl)acetyl]pyrrolidin-2-yl]methoxy}benzoic acid
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| Structure |
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| Formula |
C31H34FN3O5
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| Molecular Weight |
547.627
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| Canonical SMILES |
CC(C)c1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)ccc1NC(=O)Nc1ccccc1C
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| InChI |
InChI=1S/C31H34FN3O5/c1-19(2)26-14-21(8-13-28(26)34-31(39)33-27-7-5-4-6-20(27)3)15-29(36)35-17-23(32)16-24(35)18-40-25-11-9-22(10-12-25)30(37)38/h4-14,19,23-24H,15-18H2,1-3H3,(H,37,38)(H2,33,34,39)/t23-,24-/m0/s1
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| InChIKey |
LHLHKPCPTPRBAT-ZEQRLZLVSA-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