General Information of the Compound
| Compound ID |
CP0544724
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| Compound Name |
ethyl 4-[3-[N-[(4-fluorophenyl)methyl]-4-phenylanilino]propanoylamino]benzoate
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| Structure |
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| Formula |
C31H29FN2O3
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| Molecular Weight |
496.582
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| Canonical SMILES |
CCOC(=O)c1ccc(NC(=O)CCN(Cc2ccc(F)cc2)c2ccc(cc2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C31H29FN2O3/c1-2-37-31(36)26-10-16-28(17-11-26)33-30(35)20-21-34(22-23-8-14-27(32)15-9-23)29-18-12-25(13-19-29)24-6-4-3-5-7-24/h3-19H,2,20-22H2,1H3,(H,33,35)
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| InChIKey |
AUQGVZDOMFOFDB-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