General Information of the Compound
| Compound ID |
CP0457160
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| Compound Name |
propan-2-yl 2-(3-chloro-N-[3-[[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]phenyl]sulfonylanilino)acetate
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| Structure |
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| Formula |
C28H30ClN3O7S
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| Molecular Weight |
588.082
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| Canonical SMILES |
CC(C)OC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(NC(=O)CN(C)C(=O)OCc2ccccc2)c1
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| InChI |
InChI=1S/C28H30ClN3O7S/c1-20(2)39-27(34)18-32(24-13-7-11-22(29)15-24)40(36,37)25-14-8-12-23(16-25)30-26(33)17-31(3)28(35)38-19-21-9-5-4-6-10-21/h4-16,20H,17-19H2,1-3H3,(H,30,33)
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| InChIKey |
GFXYKJYSUULFGY-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