General Information of the Compound
| Compound ID |
CP0444141
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| Compound Name |
2-[7-methoxy-6-[2-(4-methylpiperidin-1-yl)ethoxy]quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C24H28N8O2
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| Molecular Weight |
460.542
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| Canonical SMILES |
COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCN1CCC(C)CC1
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| InChI |
InChI=1S/C24H28N8O2/c1-16-6-9-31(10-7-16)11-12-34-21-13-17-19(14-20(21)33-2)27-15-28-23(17)32-24(25)29-22(30-32)18-5-3-4-8-26-18/h3-5,8,13-16H,6-7,9-12H2,1-2H3,(H2,25,29,30)
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| InChIKey |
HVQXPGRYUJBXPF-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