General Information of the Compound
| Compound ID |
CP0528955
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| Compound Name |
N-(1-(4-(azepan-1- yl)butyl)-1H-pyrazolo[3,4- d]pyrimidin-4-yl)pivalamide maleate
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| Structure |
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| Formula |
C20H32N6O
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| Molecular Weight |
372.517
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| Canonical SMILES |
CC(C)(C)C(=O)Nc1ncnc2n(CCCCN3CCCCCC3)ncc12
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| InChI |
InChI=1S/C20H32N6O/c1-20(2,3)19(27)24-17-16-14-23-26(18(16)22-15-21-17)13-9-8-12-25-10-6-4-5-7-11-25/h14-15H,4-13H2,1-3H3,(H,21,22,24,27)
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| InChIKey |
OWTIHQUNWMBJJI-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