General Information of the Compound
| Compound ID |
CP0411763
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| Compound Name |
1-([1]benzothiolo[3,2-d]pyrimidin-4-yl)-3-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-triazole-3,5-diamine
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| Structure |
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| Formula |
C24H24N8OS
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| Molecular Weight |
472.578
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| Canonical SMILES |
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ncnc2c3ccccc3sc12
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| InChI |
InChI=1S/C24H24N8OS/c25-23-29-24(28-16-7-9-17(10-8-16)33-14-13-31-11-3-4-12-31)30-32(23)22-21-20(26-15-27-22)18-5-1-2-6-19(18)34-21/h1-2,5-10,15H,3-4,11-14H2,(H3,25,28,29,30)
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| InChIKey |
BOGWJEHAHIJXJG-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