General Information of the Compound
| Compound ID |
CP0514224
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| Compound Name |
2-[1-(3,4-dichlorophenyl)sulfonyl-5-methyl-3-phenylpyrazol-4-yl]acetic acid
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| Structure |
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| Formula |
C18H14Cl2N2O4S
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| Molecular Weight |
425.293
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| Canonical SMILES |
Cc1c(CC(O)=O)c(nn1S(=O)(=O)c1ccc(Cl)c(Cl)c1)-c1ccccc1
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| InChI |
InChI=1S/C18H14Cl2N2O4S/c1-11-14(10-17(23)24)18(12-5-3-2-4-6-12)21-22(11)27(25,26)13-7-8-15(19)16(20)9-13/h2-9H,10H2,1H3,(H,23,24)
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| InChIKey |
NPMNNLFJMABDLG-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