General Information of the Compound
| Compound ID |
CP0248109
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| Compound Name |
2-[1-[2-[[cyclopropanecarbonyl(2-phenoxyethyl)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 |
C30H28F3N3O4
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| Molecular Weight |
551.565
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| Canonical SMILES |
Cc1ccc2c(CC(O)=O)cn(-c3ccc(cc3CN(CCOc3ccccc3)C(=O)C3CC3)C(F)(F)F)c2n1
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| InChI |
InChI=1S/C30H28F3N3O4/c1-19-7-11-25-21(16-27(37)38)18-36(28(25)34-19)26-12-10-23(30(31,32)33)15-22(26)17-35(29(39)20-8-9-20)13-14-40-24-5-3-2-4-6-24/h2-7,10-12,15,18,20H,8-9,13-14,16-17H2,1H3,(H,37,38)
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| InChIKey |
SENFTBLAQBTZNO-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