General Information of the Compound
| Compound ID |
CP0551474
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| Compound Name |
4-[3-(3,5-diethyl-1-methylpyrazol-4-yl)oxyindazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C22H22N4O3
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| Molecular Weight |
390.443
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| Canonical SMILES |
CCc1nn(C)c(CC)c1Oc1nn(-c2ccc(cc2)C(O)=O)c2ccccc12
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| InChI |
InChI=1S/C22H22N4O3/c1-4-17-20(18(5-2)25(3)23-17)29-21-16-8-6-7-9-19(16)26(24-21)15-12-10-14(11-13-15)22(27)28/h6-13H,4-5H2,1-3H3,(H,27,28)
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| InChIKey |
OMFBRZZIGBYCML-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
Protein ID: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT01806, Retinoic acid receptor gamma