General Information of the Compound
| Compound ID |
CP0407626
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| Compound Name |
ethyl 4-[3-(3-chloro-N-(4-fluorophenyl)sulfonyl-5-phenylanilino)propanoylamino]benzoate
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| Structure |
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| Formula |
C30H26ClFN2O5S
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| Molecular Weight |
581.065
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| Canonical SMILES |
CCOC(=O)c1ccc(NC(=O)CCN(c2cc(Cl)cc(c2)-c2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C30H26ClFN2O5S/c1-2-39-30(36)22-8-12-26(13-9-22)33-29(35)16-17-34(40(37,38)28-14-10-25(32)11-15-28)27-19-23(18-24(31)20-27)21-6-4-3-5-7-21/h3-15,18-20H,2,16-17H2,1H3,(H,33,35)
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| InChIKey |
SMLYXOYPIALOLG-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