General Information of the Compound
| Compound ID |
CP0528953
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| Compound Name |
1-(1-(2-(Azepan-1- yl)ethyl)-1H- pyrazolo[3,4- d]pyrimidin-4-yl)-3- cyclohexylurea hydrochloride
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| Structure |
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| Formula |
C20H31N7O
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| Molecular Weight |
385.516
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| Canonical SMILES |
O=C(NC1CCCCC1)Nc1ncnc2n(CCN3CCCCCC3)ncc12
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| InChI |
InChI=1S/C20H31N7O/c28-20(24-16-8-4-3-5-9-16)25-18-17-14-23-27(19(17)22-15-21-18)13-12-26-10-6-1-2-7-11-26/h14-16H,1-13H2,(H2,21,22,24,25,28)
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| InChIKey |
LKZYZHMAMTUOMU-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