General Information of the Compound
| Compound ID |
CP0521353
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| Compound Name |
1-(3-methoxy-3-methylbutyl)-N6-(4-(4-methylpiperazin-1-yl)phenyl)-N3-phenyl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
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| Structure |
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| Formula |
C28H36N8O
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| Molecular Weight |
500.651
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| Canonical SMILES |
COC(C)(C)CCn1nc(Nc2ccccc2)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
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| InChI |
InChI=1S/C28H36N8O/c1-28(2,37-4)14-15-36-26-24(25(33-36)30-21-8-6-5-7-9-21)20-29-27(32-26)31-22-10-12-23(13-11-22)35-18-16-34(3)17-19-35/h5-13,20H,14-19H2,1-4H3,(H,30,33)(H,29,31,32)
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| InChIKey |
JMFNLTDBFUBZBV-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