General Information of the Compound
| Compound ID |
CP0374418
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| Compound Name |
4-N-(3-benzyl-5-phenyltriazolo[4,5-d]pyrimidin-7-yl)benzene-1,4-diamine
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| Structure |
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| Formula |
C23H19N7
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| Molecular Weight |
393.454
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| Canonical SMILES |
Nc1ccc(Nc2nc(nc3n(Cc4ccccc4)nnc23)-c2ccccc2)cc1
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| InChI |
InChI=1S/C23H19N7/c24-18-11-13-19(14-12-18)25-22-20-23(27-21(26-22)17-9-5-2-6-10-17)30(29-28-20)15-16-7-3-1-4-8-16/h1-14H,15,24H2,(H,25,26,27)
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| InChIKey |
YLYRPYGRRKBVPO-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