General Information of the Compound
| Compound ID |
CP0533913
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| Compound Name |
3-[4-amino-3-(1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2,2-dimethylpropan-1-ol
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| Formula |
C18H20N6O
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| Molecular Weight |
336.399
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| Canonical SMILES |
CC(C)(CO)Cn1nc(-c2c[nH]c3ccccc23)c2c(N)ncnc12
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| InChI |
InChI=1S/C18H20N6O/c1-18(2,9-25)8-24-17-14(16(19)21-10-22-17)15(23-24)12-7-20-13-6-4-3-5-11(12)13/h3-7,10,20,25H,8-9H2,1-2H3,(H2,19,21,22)
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| InChIKey |
CEWOYNHYISZPFC-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
Protein ID: PT01096, Serine/threonine-protein kinase D1
Protein ID: PT00953, Serine/threonine-protein kinase D2
Protein ID: PT01060, Serine/threonine-protein kinase D3
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000018 | HL-60 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 27600 nM
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TI
LI
LO
TS
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