General Information of the Compound
| Compound ID |
CP0472473
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| Compound Name |
1-tert-butyl-3-(1H-indol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
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| Formula |
C17H18N6
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| Molecular Weight |
306.373
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| Canonical SMILES |
CC(C)(C)n1nc(-c2c[nH]c3ccccc23)c2c(N)ncnc12
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| InChI |
InChI=1S/C17H18N6/c1-17(2,3)23-16-13(15(18)20-9-21-16)14(22-23)11-8-19-12-7-5-4-6-10(11)12/h4-9,19H,1-3H3,(H2,18,20,21)
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| InChIKey |
RBZLXANOQRQGTN-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 | |
| CL000067 | HCT 116 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 2500 nM
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TI
LI
LO
TS
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| CL000114 | Z-138 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 9700 nM
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TI
LI
LO
TS
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