General Information of the Compound
| Compound ID |
CP0423177
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| Compound Name |
1-(2-methylquinazolin-4-yl)-N3-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-1H-1,2,4-triazole-3,5-diamine
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| Structure |
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| Formula |
C23H26N8O
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| Molecular Weight |
430.516
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| Canonical SMILES |
Cc1nc(-n2nc(Nc3ccc(OCCN4CCCC4)cc3)nc2N)c2ccccc2n1
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| InChI |
InChI=1S/C23H26N8O/c1-16-25-20-7-3-2-6-19(20)21(26-16)31-22(24)28-23(29-31)27-17-8-10-18(11-9-17)32-15-14-30-12-4-5-13-30/h2-3,6-11H,4-5,12-15H2,1H3,(H3,24,27,28,29)
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| InChIKey |
SDEYRLBSHUAVTK-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