General Information of the Compound
| Compound ID |
CP0326124
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| Compound Name |
2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-5-methylpyrrolo[3,2-b]pyridin-1-yl]acetic acid
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| Structure |
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| Formula |
C24H24F3N3O3
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| Molecular Weight |
459.468
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| Canonical SMILES |
CCN(Cc1cc(ccc1-c1cn(CC(O)=O)c2ccc(C)nc12)C(F)(F)F)C(=O)C1CC1
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| InChI |
InChI=1S/C24H24F3N3O3/c1-3-29(23(33)15-5-6-15)11-16-10-17(24(25,26)27)7-8-18(16)19-12-30(13-21(31)32)20-9-4-14(2)28-22(19)20/h4,7-10,12,15H,3,5-6,11,13H2,1-2H3,(H,31,32)
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| InChIKey |
XWCKUAHJFCUAHJ-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