General Information of the Compound
| Compound ID |
CP0485234
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| Compound Name |
3-[2-(4-methoxyphenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]-6,6-dimethyl-1-phenyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
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| Structure |
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| Formula |
C28H26F3N3O4
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| Molecular Weight |
525.527
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| Canonical SMILES |
COc1ccc(cc1)-n1[nH]c(C)c(c1=O)C1(C(=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C28H26F3N3O4/c1-16-22(24(36)34(32-16)18-10-12-19(38-4)13-11-18)27(28(29,30)31)23-20(14-26(2,3)15-21(23)35)33(25(27)37)17-8-6-5-7-9-17/h5-13,32H,14-15H2,1-4H3
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| InChIKey |
HRALEUPTUFQWEC-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: PT05659, Very long chain fatty acid elongase 3
Protein ID: PT06084, Very long chain fatty acid elongase 6