General Information of the Compound
| Compound ID |
CP0469674
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| Compound Name |
1-(2-chloro-7-methylthieno[3,2-d]pyrimidin-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 |
C21H23ClN8OS
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| Molecular Weight |
470.99
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| Canonical SMILES |
Cc1csc2c(nc(Cl)nc12)-n1nc(Nc2ccc(OCCN3CCCC3)cc2)nc1N
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| InChI |
InChI=1S/C21H23ClN8OS/c1-13-12-32-17-16(13)25-19(22)26-18(17)30-20(23)27-21(28-30)24-14-4-6-15(7-5-14)31-11-10-29-8-2-3-9-29/h4-7,12H,2-3,8-11H2,1H3,(H3,23,24,27,28)
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| InChIKey |
GTXOGZFFTJTKAX-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