General Information of the Compound
| Compound ID |
CP0411762
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| Compound Name |
1-(6,7-dihydro-5H-cyclopenta[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 |
C21H26N8O
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| Molecular Weight |
406.494
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| Canonical SMILES |
Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ncnc2CCCc12
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| InChI |
InChI=1S/C21H26N8O/c22-20-26-21(27-29(20)19-17-4-3-5-18(17)23-14-24-19)25-15-6-8-16(9-7-15)30-13-12-28-10-1-2-11-28/h6-9,14H,1-5,10-13H2,(H3,22,25,26,27)
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| InChIKey |
WAESMQNHFQFPCW-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