General Information of the Compound
| Compound ID |
CP0419073
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| Compound Name |
N-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C21H18N6O
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| Molecular Weight |
370.416
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| Canonical SMILES |
O=C(Nc1nc(nc2n(Cc3ccccc3)nnc12)-c1ccccc1)C1CC1
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| InChI |
InChI=1S/C21H18N6O/c28-21(16-11-12-16)24-19-17-20(23-18(22-19)15-9-5-2-6-10-15)27(26-25-17)13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,22,23,24,28)
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| InChIKey |
WSMWGDVMRLIBMG-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