General Information of the Compound
| Compound ID |
CP0052912
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| Compound Name |
2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C23H22F3N3O3
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| Molecular Weight |
445.441
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| Canonical SMILES |
CCN(Cc1cc(ccc1-n1cc(CC(O)=O)c2cccnc12)C(F)(F)F)C(=O)C1CC1
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| InChI |
InChI=1S/C23H22F3N3O3/c1-2-28(22(32)14-5-6-14)12-16-10-17(23(24,25)26)7-8-19(16)29-13-15(11-20(30)31)18-4-3-9-27-21(18)29/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,30,31)
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| InChIKey |
BUAAXOZBOZWLJY-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