General Information of the Compound
| Compound ID |
CP0559113
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| Compound Name |
2-[3-[2-[(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)methyl]-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]acetic acid
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| Structure |
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| Formula |
C25H19F6N3O3
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| Molecular Weight |
523.433
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| Canonical SMILES |
Cc1noc(C2CC2)c1Cc1cc(ccc1-c1cn(CC(O)=O)c2ccc(nc12)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H19F6N3O3/c1-12-17(23(37-33-12)13-2-3-13)9-14-8-15(24(26,27)28)4-5-16(14)18-10-34(11-21(35)36)19-6-7-20(25(29,30)31)32-22(18)19/h4-8,10,13H,2-3,9,11H2,1H3,(H,35,36)
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| InChIKey |
VSNWUKCJBLFZGE-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