General Information of the Compound
| Compound ID |
CP0208523
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| Compound Name |
2-[[2-(4-fluorophenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C22H16F4N4O
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| Molecular Weight |
428.389
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(F)cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H16F4N4O/c1-27-21(31)14-4-2-3-5-17(14)29-19-15-10-18(12-6-8-13(23)9-7-12)30-20(15)28-11-16(19)22(24,25)26/h2-11H,1H3,(H,27,31)(H2,28,29,30)
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| InChIKey |
OBDQDVJBUMEZAF-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