General Information of the Compound
| Compound ID |
CP0419150
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| Compound Name |
3-N-(2,6-dimethylphenyl)-1-(3-methoxy-3-methylbutyl)-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[3,4-d]pyrimidine-3,6-diamine
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| Structure |
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| Formula |
C30H40N8O
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| Molecular Weight |
528.705
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| Canonical SMILES |
COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
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| InChI |
InChI=1S/C30H40N8O/c1-21-8-7-9-22(2)26(21)33-27-25-20-31-29(34-28(25)38(35-27)15-14-30(3,4)39-6)32-23-10-12-24(13-11-23)37-18-16-36(5)17-19-37/h7-13,20H,14-19H2,1-6H3,(H,33,35)(H,31,32,34)
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| InChIKey |
SMRCIXIIGDJROI-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