General Information of the Compound
| Compound ID |
CP0431374
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| Compound Name |
1-(3-(diethylamino)propyl)-N3-(2,6-dimethylphenyl)-N6-phenyl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
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| Structure |
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| Formula |
C26H33N7
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| Molecular Weight |
443.599
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| Canonical SMILES |
CCN(CC)CCCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccccc3)nc12
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| InChI |
InChI=1S/C26H33N7/c1-5-32(6-2)16-11-17-33-25-22(18-27-26(30-25)28-21-14-8-7-9-15-21)24(31-33)29-23-19(3)12-10-13-20(23)4/h7-10,12-15,18H,5-6,11,16-17H2,1-4H3,(H,29,31)(H,27,28,30)
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| InChIKey |
CLVSWXQSUDWUEQ-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