General Information of the Compound
| Compound ID |
CP0471939
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| Compound Name |
3-N-(2,6-dichlorophenyl)-1-(3-methoxy-3-methylbutyl)-6-N-(4-piperazin-1-ylphenyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
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| Structure |
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| Formula |
C27H32Cl2N8O
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| Molecular Weight |
555.514
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| Canonical SMILES |
COC(C)(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccc(cc3)N3CCNCC3)nc12
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| InChI |
InChI=1S/C27H32Cl2N8O/c1-27(2,38-3)11-14-37-25-20(24(35-37)33-23-21(28)5-4-6-22(23)29)17-31-26(34-25)32-18-7-9-19(10-8-18)36-15-12-30-13-16-36/h4-10,17,30H,11-16H2,1-3H3,(H,33,35)(H,31,32,34)
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| InChIKey |
SBJZGWKETAEEGB-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