General Information of the Compound
| Compound ID |
CP0131892
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| Compound Name |
N-methyl-2-[[2-(4-morpholin-4-ylphenyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]benzamide
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| Structure |
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| Formula |
C26H24F3N5O2
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| Molecular Weight |
495.505
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1ccc(cc1)N1CCOCC1)C(F)(F)F
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| InChI |
InChI=1S/C26H24F3N5O2/c1-30-25(35)18-4-2-3-5-21(18)32-23-19-14-22(33-24(19)31-15-20(23)26(27,28)29)16-6-8-17(9-7-16)34-10-12-36-13-11-34/h2-9,14-15H,10-13H2,1H3,(H,30,35)(H2,31,32,33)
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| InChIKey |
VHPUVIGQSMCXKT-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