General Information of the Compound
| Compound ID |
CP0534649
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| Compound Name |
2-[(4-cyanophenyl)sulfonyl-[1-[3-(3,5-dichlorophenyl)phenyl]cyclobutyl]amino]acetic acid
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| Structure |
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| Formula |
C25H20Cl2N2O4S
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| Molecular Weight |
515.418
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| Canonical SMILES |
OC(=O)CN(C1(CCC1)c1cccc(c1)-c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C25H20Cl2N2O4S/c26-21-12-19(13-22(27)14-21)18-3-1-4-20(11-18)25(9-2-10-25)29(16-24(30)31)34(32,33)23-7-5-17(15-28)6-8-23/h1,3-8,11-14H,2,9-10,16H2,(H,30,31)
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| InChIKey |
QVQJFARLTWLXIJ-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