General Information of the Compound
| Compound ID |
CP0372827
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| Compound Name |
1-(3-methoxy-3-methylbutyl)-6-N-[4-(4-methylpiperazin-1-yl)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 |
C31H42N8O
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| Molecular Weight |
542.732
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| Canonical SMILES |
COC(C)(C)CCn1nc(Nc2c(C)cc(C)cc2C)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
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| InChI |
InChI=1S/C31H42N8O/c1-21-18-22(2)27(23(3)19-21)34-28-26-20-32-30(35-29(26)39(36-28)13-12-31(4,5)40-7)33-24-8-10-25(11-9-24)38-16-14-37(6)15-17-38/h8-11,18-20H,12-17H2,1-7H3,(H,34,36)(H,32,33,35)
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| InChIKey |
SEWZRZAXSOQIDA-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