General Information of the Compound
| Compound ID |
CP0005596
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| Compound Name |
3,4-Di-(phenylamino)-1H-pyrazolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C17H14N6
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| Molecular Weight |
302.341
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| Canonical SMILES |
N(c1[nH]nc2ncnc(Nc3ccccc3)c12)c1ccccc1
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| InChI |
InChI=1S/C17H14N6/c1-3-7-12(8-4-1)20-15-14-16(19-11-18-15)22-23-17(14)21-13-9-5-2-6-10-13/h1-11H,(H3,18,19,20,21,22,23)
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| InChIKey |
IZWVMBDZDRQDDZ-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