General Information of the Compound
| Compound ID |
CP0519343
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| Compound Name |
ethyl 4-[3-[N-[(4-fluorophenyl)methyl]-3-phenoxyanilino]propanoylamino]benzoate
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| Structure |
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| Formula |
C31H29FN2O4
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| Molecular Weight |
512.581
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| Canonical SMILES |
CCOC(=O)c1ccc(NC(=O)CCN(Cc2ccc(F)cc2)c2cccc(Oc3ccccc3)c2)cc1
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| InChI |
InChI=1S/C31H29FN2O4/c1-2-37-31(36)24-13-17-26(18-14-24)33-30(35)19-20-34(22-23-11-15-25(32)16-12-23)27-7-6-10-29(21-27)38-28-8-4-3-5-9-28/h3-18,21H,2,19-20,22H2,1H3,(H,33,35)
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| InChIKey |
RFXGUSCNFRHKHY-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