General Information of the Compound
| Compound ID |
CP0237101
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| Compound Name |
3-[4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-(3,3-dimethylbutyl)-2-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
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| Structure |
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| Formula |
C28H41BrN8
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| Molecular Weight |
569.596
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| Canonical SMILES |
Cc1c(NCCN2CCCC2)cc(CCC(C)(C)C)cc1N1CCN(CC1)c1ncnc2n[nH]c(Br)c12
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| InChI |
InChI=1S/C28H41BrN8/c1-20-22(30-9-12-35-10-5-6-11-35)17-21(7-8-28(2,3)4)18-23(20)36-13-15-37(16-14-36)27-24-25(29)33-34-26(24)31-19-32-27/h17-19,30H,5-16H2,1-4H3,(H,31,32,33,34)
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| InChIKey |
BZWINHLDUBAFJC-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