General Information of the Compound
| Compound ID |
CP0131252
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| Compound Name |
4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[(5-fluoropyridin-2-yl)methyl]-5-methoxyquinazoline-2,4-diamine
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| Formula |
C20H20FN7O
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| Molecular Weight |
393.426
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| Canonical SMILES |
CCc1cc(Nc2nc(NCc3ccc(F)cn3)nc3cccc(OC)c23)n[nH]1
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| InChI |
InChI=1S/C20H20FN7O/c1-3-13-9-17(28-27-13)25-19-18-15(5-4-6-16(18)29-2)24-20(26-19)23-11-14-8-7-12(21)10-22-14/h4-10H,3,11H2,1-2H3,(H3,23,24,25,26,27,28)
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| InChIKey |
PTJBMQVUHYZJLN-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