General Information of the Compound
| Compound ID |
CP0509269
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| Compound Name |
1-(3-methoxy-3-methylbutyl)-6-N-phenyl-3-N-(2,4,6-trimethylphenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
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| Structure |
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| Formula |
C26H32N6O
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| Molecular Weight |
444.583
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| Canonical SMILES |
COC(C)(C)CCn1nc(Nc2c(C)cc(C)cc2C)c2cnc(Nc3ccccc3)nc12
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| InChI |
InChI=1S/C26H32N6O/c1-17-14-18(2)22(19(3)15-17)29-23-21-16-27-25(28-20-10-8-7-9-11-20)30-24(21)32(31-23)13-12-26(4,5)33-6/h7-11,14-16H,12-13H2,1-6H3,(H,29,31)(H,27,28,30)
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| InChIKey |
VXBAJSBOXKDNSO-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