General Information of the Compound
| Compound ID |
CP0457158
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| Compound Name |
propan-2-yl 2-(3-chloro-N-[3-(3-phenylpropanoylamino)phenyl]sulfonylanilino)acetate
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| Structure |
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| Formula |
C26H27ClN2O5S
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| Molecular Weight |
515.031
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| Canonical SMILES |
CC(C)OC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(NC(=O)CCc2ccccc2)c1
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| InChI |
InChI=1S/C26H27ClN2O5S/c1-19(2)34-26(31)18-29(23-12-6-10-21(27)16-23)35(32,33)24-13-7-11-22(17-24)28-25(30)15-14-20-8-4-3-5-9-20/h3-13,16-17,19H,14-15,18H2,1-2H3,(H,28,30)
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| InChIKey |
IHVDJJHSTCLMHE-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