General Information of the Compound
| Compound ID |
CP0226098
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| Compound Name |
1-(6,7-dimethoxyquinazolin-4-yl)-3-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazole-3,5-diamine
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| Structure |
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| Formula |
C23H27N9O2
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| Molecular Weight |
461.53
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| Canonical SMILES |
COc1cc2ncnc(-n3nc(Nc4ccc(cc4)N4CCN(C)CC4)nc3N)c2cc1OC
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| InChI |
InChI=1S/C23H27N9O2/c1-30-8-10-31(11-9-30)16-6-4-15(5-7-16)27-23-28-22(24)32(29-23)21-17-12-19(33-2)20(34-3)13-18(17)25-14-26-21/h4-7,12-14H,8-11H2,1-3H3,(H3,24,27,28,29)
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| InChIKey |
LLKDXMWEDCTPCL-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
Protein ID: PT01101, Insulin receptor
Protein ID: PT01128, Tyrosine-protein kinase receptor UFO