General Information of the Compound
| Compound ID |
CP0396159
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| Compound Name |
1-(6-chloroquinazolin-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 |
C22H23ClN8O
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| Molecular Weight |
450.934
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| Canonical SMILES |
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ncnc2ccc(Cl)cc12
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| InChI |
InChI=1S/C22H23ClN8O/c23-15-3-8-19-18(13-15)20(26-14-25-19)31-21(24)28-22(29-31)27-16-4-6-17(7-5-16)32-12-11-30-9-1-2-10-30/h3-8,13-14H,1-2,9-12H2,(H3,24,27,28,29)
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| InChIKey |
JVVLLTCDDIGBNZ-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