General Information of the Compound
| Compound ID |
CP0519254
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| Compound Name |
2-[(3-chlorophenyl)sulfonyl-[1-[3-(3,5-dichlorophenyl)phenyl]cyclobutyl]amino]acetic acid
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| Structure |
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| Formula |
C24H20Cl3NO4S
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| Molecular Weight |
524.853
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| Canonical SMILES |
OC(=O)CN(C1(CCC1)c1cccc(c1)-c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C24H20Cl3NO4S/c25-19-6-2-7-22(14-19)33(31,32)28(15-23(29)30)24(8-3-9-24)18-5-1-4-16(10-18)17-11-20(26)13-21(27)12-17/h1-2,4-7,10-14H,3,8-9,15H2,(H,29,30)
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| InChIKey |
PYWMNHDIZDUFLI-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