General Information of the Compound
Compound ID |
CP0569947
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Compound Name |
2-[6-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-7-methoxyquinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
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Structure |
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Formula |
C25H30N8O3
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Molecular Weight |
490.568
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Canonical SMILES |
COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCCN1CC(C)OC(C)C1
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InChI |
InChI=1S/C25H30N8O3/c1-16-13-32(14-17(2)36-16)9-6-10-35-22-11-18-20(12-21(22)34-3)28-15-29-24(18)33-25(26)30-23(31-33)19-7-4-5-8-27-19/h4-5,7-8,11-12,15-17H,6,9-10,13-14H2,1-3H3,(H2,26,30,31)
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InChIKey |
OVVVCCFJRNGOFS-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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