General Information of the Compound
| Compound ID |
CP0151040
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| Compound Name |
3-[4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-5-chloro-2-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
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| Structure |
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| Formula |
C22H28BrClN8
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| Molecular Weight |
519.879
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| Canonical SMILES |
Cc1c(NCCN2CCCC2)cc(Cl)cc1N1CCN(CC1)c1ncnc2n[nH]c(Br)c12
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| InChI |
InChI=1S/C22H28BrClN8/c1-15-17(25-4-7-30-5-2-3-6-30)12-16(24)13-18(15)31-8-10-32(11-9-31)22-19-20(23)28-29-21(19)26-14-27-22/h12-14,25H,2-11H2,1H3,(H,26,27,28,29)
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| InChIKey |
VPUFQSGUFCOEEC-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