General Information of the Compound
| Compound ID |
CP0471664
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| Compound Name |
2-[7-methoxy-6-(2-piperidin-1-ylethoxy)quinazolin-4-yl]-5-pyridin-2-yl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C23H26N8O2
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| Molecular Weight |
446.515
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| Canonical SMILES |
COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OCCN1CCCCC1
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| InChI |
InChI=1S/C23H26N8O2/c1-32-19-14-18-16(13-20(19)33-12-11-30-9-5-2-6-10-30)22(27-15-26-18)31-23(24)28-21(29-31)17-7-3-4-8-25-17/h3-4,7-8,13-15H,2,5-6,9-12H2,1H3,(H2,24,28,29)
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| InChIKey |
VXHADGLLQQCTNO-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