General Information of the Compound
| Compound ID |
CP0472472
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| Compound Name |
3-naphthalen-1-yl-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
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| Formula |
C21H22N6
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| Molecular Weight |
358.449
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| Canonical SMILES |
Nc1ncnc2n(CC3CCNCC3)nc(-c3cccc4ccccc34)c12
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| InChI |
InChI=1S/C21H22N6/c22-20-18-19(17-7-3-5-15-4-1-2-6-16(15)17)26-27(21(18)25-13-24-20)12-14-8-10-23-11-9-14/h1-7,13-14,23H,8-12H2,(H2,22,24,25)
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| InChIKey |
WHROQBPMBHWWTB-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