General Information of the Compound
| Compound ID |
CP0131893
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| Compound Name |
N-methyl-2-[[2-pyridin-3-yl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]benzamide
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| Structure |
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| Formula |
C21H16F3N5O
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| Molecular Weight |
411.387
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| Canonical SMILES |
CNC(=O)c1ccccc1Nc1c(cnc2[nH]c(cc12)-c1cccnc1)C(F)(F)F
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| InChI |
InChI=1S/C21H16F3N5O/c1-25-20(30)13-6-2-3-7-16(13)28-18-14-9-17(12-5-4-8-26-10-12)29-19(14)27-11-15(18)21(22,23)24/h2-11H,1H3,(H,25,30)(H2,27,28,29)
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| InChIKey |
NGVBWWVRVRKHQO-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