General Information of the Compound
| Compound ID |
CP0455558
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| Compound Name |
ethyl 4-[3-[3-chloro-N-[(4-fluorophenyl)methyl]-5-phenylanilino]propanoylamino]benzoate
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| Structure |
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| Formula |
C31H28ClFN2O3
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| Molecular Weight |
531.027
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| Canonical SMILES |
CCOC(=O)c1ccc(NC(=O)CCN(Cc2ccc(F)cc2)c2cc(Cl)cc(c2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C31H28ClFN2O3/c1-2-38-31(37)24-10-14-28(15-11-24)34-30(36)16-17-35(21-22-8-12-27(33)13-9-22)29-19-25(18-26(32)20-29)23-6-4-3-5-7-23/h3-15,18-20H,2,16-17,21H2,1H3,(H,34,36)
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| InChIKey |
CTEXBUFARZFTSV-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