General Information of the Compound
| Compound ID |
CP0110716
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| Compound Name |
N-[2-(6-methylpyridin-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]quinolin-4-amine
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| Structure |
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| Formula |
C21H16N6
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| Molecular Weight |
352.401
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| Canonical SMILES |
Cc1cccc(n1)-c1nc(Nc2ccnc3ccccc23)c2cccn2n1
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| InChI |
InChI=1S/C21H16N6/c1-14-6-4-9-18(23-14)20-25-21(19-10-5-13-27(19)26-20)24-17-11-12-22-16-8-3-2-7-15(16)17/h2-13H,1H3,(H,22,24,25,26)
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| InChIKey |
POBTWEXPMBRQFA-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