General Information of the Compound
| Compound ID |
CP0525681
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| Compound Name |
2-[(3aS,6aS)-1-(3,5-dichlorophenyl)sulfonyl-6-oxo-3,3a,4,6a-tetrahydro-2H-pyrrolo[2,3-c]pyrrol-5-yl]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C21H20Cl2N2O5S
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| Molecular Weight |
483.373
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| Canonical SMILES |
OC(=O)C(Cc1ccccc1)N1C[C@@H]2CCN([C@@H]2C1=O)S(=O)(=O)c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C21H20Cl2N2O5S/c22-15-9-16(23)11-17(10-15)31(29,30)25-7-6-14-12-24(20(26)19(14)25)18(21(27)28)8-13-4-2-1-3-5-13/h1-5,9-11,14,18-19H,6-8,12H2,(H,27,28)/t14-,18?,19-/m0/s1
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| InChIKey |
SDBXVHANLMKILP-CJESRSHOSA-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