General Information of the Compound
| Compound ID |
CP0352581
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| Compound Name |
2-[1-[2-[[ethyl(pyridine-2-carbonyl)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 |
C26H23F3N4O3
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| Molecular Weight |
496.489
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| Canonical SMILES |
CCN(Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(F)(F)F)C(=O)c1ccccn1
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| InChI |
InChI=1S/C26H23F3N4O3/c1-3-32(25(36)21-6-4-5-11-30-21)14-18-12-19(26(27,28)29)8-10-22(18)33-15-17(13-23(34)35)20-9-7-16(2)31-24(20)33/h4-12,15H,3,13-14H2,1-2H3,(H,34,35)
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| InChIKey |
NKINBLFDMVRKSQ-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