General Information of the Compound
| Compound ID |
CP0456037
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| Compound Name |
3-[[[(1R)-1-(4-fluorophenyl)ethyl]-(4-phenoxybenzoyl)amino]methyl]benzoic acid
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| Structure |
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| Formula |
C29H24FNO4
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| Molecular Weight |
469.512
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| Canonical SMILES |
C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C29H24FNO4/c1-20(22-10-14-25(30)15-11-22)31(19-21-6-5-7-24(18-21)29(33)34)28(32)23-12-16-27(17-13-23)35-26-8-3-2-4-9-26/h2-18,20H,19H2,1H3,(H,33,34)/t20-/m1/s1
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| InChIKey |
IVSDKNLYFYDVQC-HXUWFJFHSA-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