General Information of the Compound
| Compound ID |
CP0949305
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| Compound Name |
N-[1-(2-Azepan-1-yl-ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-2-(3,5-diethyl-cyclohexyl)-acetamide
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| Structure |
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| Formula |
C23H32N6O
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| Molecular Weight |
408.55
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| Canonical SMILES |
O=C(Nc1ncnc2c1cnn2CCN1CCCCCC1)C12CC3CC(CC1C3)C2
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| InChI |
InChI=1S/C23H32N6O/c30-22(23-12-16-9-17(13-23)11-18(23)10-16)27-20-19-14-26-29(21(19)25-15-24-20)8-7-28-5-3-1-2-4-6-28/h14-18H,1-13H2,(H,24,25,27,30)
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| InChIKey |
FZOLUSMLQWAEAJ-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