General Information of the Compound
| Compound ID |
CP0579865
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| Compound Name |
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
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| Structure |
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| Formula |
C24H17F3N4O
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| Molecular Weight |
434.421
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| Canonical SMILES |
FC(F)(F)c1cc(NC(=O)CCc2cccc(c2)-c2cnc3[nH]ccc3c2)ccc1C#N
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| InChI |
InChI=1S/C24H17F3N4O/c25-24(26,27)21-12-20(6-5-18(21)13-28)31-22(32)7-4-15-2-1-3-16(10-15)19-11-17-8-9-29-23(17)30-14-19/h1-3,5-6,8-12,14H,4,7H2,(H,29,30)(H,31,32)
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| InChIKey |
UPPDETQJTDKFRY-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