General Information of the Compound
| Compound ID |
CP0205016
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| Compound Name |
2-[3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)phenyl]-5-methylpyrrolo[3,2-b]pyridin-1-yl]acetic acid
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| Structure |
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| Formula |
C23H20F3N3O3
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| Molecular Weight |
443.425
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| Canonical SMILES |
Cc1noc(C)c1Cc1cc(ccc1-c1cn(CC(O)=O)c2ccc(C)nc12)C(F)(F)F
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| InChI |
InChI=1S/C23H20F3N3O3/c1-12-4-7-20-22(27-12)19(10-29(20)11-21(30)31)17-6-5-16(23(24,25)26)8-15(17)9-18-13(2)28-32-14(18)3/h4-8,10H,9,11H2,1-3H3,(H,30,31)
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| InChIKey |
OQAZIFHJKWOHPD-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