General Information of the Compound
| Compound ID |
CP0499095
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| Compound Name |
3-N-(4-fluoro-2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-6-N-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
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| Structure |
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| Formula |
C25H29FN6O
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| Molecular Weight |
448.546
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| Canonical SMILES |
COC(C)(C)CCn1nc(Nc2c(C)cc(F)cc2C)c2cnc(Nc3ccccc3)nc12
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| InChI |
InChI=1S/C25H29FN6O/c1-16-13-18(26)14-17(2)21(16)29-22-20-15-27-24(28-19-9-7-6-8-10-19)30-23(20)32(31-22)12-11-25(3,4)33-5/h6-10,13-15H,11-12H2,1-5H3,(H,29,31)(H,27,28,30)
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| InChIKey |
OTMWAKOGGPPKJE-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