General Information of the Compound
| Compound ID |
CP0524976
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| Compound Name |
2-[5-methyl-3-phenyl-4-[(2-quinolin-8-ylsulfonylphenyl)methyl]pyrazol-1-yl]acetic acid
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| Structure |
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| Formula |
C28H23N3O4S
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| Molecular Weight |
497.576
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| Canonical SMILES |
Cc1c(Cc2ccccc2S(=O)(=O)c2cccc3cccnc23)c(nn1CC(O)=O)-c1ccccc1
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| InChI |
InChI=1S/C28H23N3O4S/c1-19-23(27(20-9-3-2-4-10-20)30-31(19)18-26(32)33)17-22-11-5-6-14-24(22)36(34,35)25-15-7-12-21-13-8-16-29-28(21)25/h2-16H,17-18H2,1H3,(H,32,33)
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| InChIKey |
UPDWOZVPPYHGGR-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