General Information of the Compound
| Compound ID |
CP0430074
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| Compound Name |
(1S,2S)-2-[4-[4-fluoro-3-methyl-1-(4-methylphenyl)indazol-6-yl]phenyl]cyclopropane-1-carboxylic acid
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| Structure |
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| Formula |
C25H21FN2O2
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| Molecular Weight |
400.453
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| Canonical SMILES |
Cc1nn(-c2ccc(C)cc2)c2cc(cc(F)c12)-c1ccc(cc1)[C@H]1C[C@@H]1C(O)=O
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| InChI |
InChI=1S/C25H21FN2O2/c1-14-3-9-19(10-4-14)28-23-12-18(11-22(26)24(23)15(2)27-28)16-5-7-17(8-6-16)20-13-21(20)25(29)30/h3-12,20-21H,13H2,1-2H3,(H,29,30)/t20-,21+/m1/s1
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| InChIKey |
ZMCNELJSMCAETB-RTWAWAEBSA-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
Protein ID: PT04613, Free fatty acid receptor 1
Protein ID: PT04427, Free fatty acid receptor 4
Protein ID: PT03121, Free fatty acid receptor 4