General Information of the Compound
| Compound ID |
CP0485198
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| Compound Name |
3-(1H-indol-3-yl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
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| Formula |
C19H21N7
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| Molecular Weight |
347.426
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| Canonical SMILES |
Nc1ncnc2n(CC3CCNCC3)nc(-c3c[nH]c4ccccc34)c12
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| InChI |
InChI=1S/C19H21N7/c20-18-16-17(14-9-22-15-4-2-1-3-13(14)15)25-26(19(16)24-11-23-18)10-12-5-7-21-8-6-12/h1-4,9,11-12,21-22H,5-8,10H2,(H2,20,23,24)
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| InChIKey |
GTWNYADDKACXSW-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 | |
| CL000002 | K-562 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 100000 nM
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TI
LI
LO
TS
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