General Information of the Compound
| Compound ID |
CP0409851
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| Compound Name |
2-[1-[(4-fluoro-2-piperazin-1-ylsulfonylphenyl)methyl]-5-methyl-3-phenylpyrazol-4-yl]acetic acid
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| Structure |
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| Formula |
C23H25FN4O4S
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| Molecular Weight |
472.542
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| Canonical SMILES |
Cc1c(CC(O)=O)c(nn1Cc1ccc(F)cc1S(=O)(=O)N1CCNCC1)-c1ccccc1
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| InChI |
InChI=1S/C23H25FN4O4S/c1-16-20(14-22(29)30)23(17-5-3-2-4-6-17)26-28(16)15-18-7-8-19(24)13-21(18)33(31,32)27-11-9-25-10-12-27/h2-8,13,25H,9-12,14-15H2,1H3,(H,29,30)
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| InChIKey |
DOIQKQKSTXYUBF-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