General Information of the Compound
| Compound ID |
CP0248102
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| Compound Name |
2-[1-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-6-(difluoromethyl)pyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C24H22F5N3O3
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| Molecular Weight |
495.448
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| Canonical SMILES |
CCN(Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(nc12)C(F)F)C(F)(F)F)C(=O)C1CC1
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| InChI |
InChI=1S/C24H22F5N3O3/c1-2-31(23(35)13-3-4-13)11-15-9-16(24(27,28)29)5-8-19(15)32-12-14(10-20(33)34)17-6-7-18(21(25)26)30-22(17)32/h5-9,12-13,21H,2-4,10-11H2,1H3,(H,33,34)
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| InChIKey |
SMBKYGLBVOJNGD-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