General Information of the Compound
| Compound ID |
CP0326125
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| Compound Name |
2-[1-[2-[[cyclopropanecarbonyl(2-hydroxyethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-6-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
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| Structure |
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| Formula |
C24H24F3N3O4
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| Molecular Weight |
475.467
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| Canonical SMILES |
Cc1ccc2c(CC(O)=O)cn(-c3ccc(cc3CN(CCO)C(=O)C3CC3)C(F)(F)F)c2n1
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| InChI |
InChI=1S/C24H24F3N3O4/c1-14-2-6-19-16(11-21(32)33)13-30(22(19)28-14)20-7-5-18(24(25,26)27)10-17(20)12-29(8-9-31)23(34)15-3-4-15/h2,5-7,10,13,15,31H,3-4,8-9,11-12H2,1H3,(H,32,33)
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| InChIKey |
PIYWEGFTPZLKMQ-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