General Information of the Compound
| Compound ID |
CP0326952
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| Compound Name |
2-[7-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrrolo[1,2-c]pyrimidin-5-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-c1cc(CC(O)=O)c2ccncn12)C(F)(F)F)C(=O)C1CC1
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| InChI |
InChI=1S/C23H22F3N3O3/c1-2-28(22(32)14-3-4-14)12-16-9-17(23(24,25)26)5-6-18(16)20-10-15(11-21(30)31)19-7-8-27-13-29(19)20/h5-10,13-14H,2-4,11-12H2,1H3,(H,30,31)
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| InChIKey |
ZJMZQFSJLKKBBB-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