General Information of the Compound
| Compound ID |
CP0471876
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| Compound Name |
1-Adamanthyl-3-(1-(2- (piperidin-1-yl)ethyl)-1H- pyrazolo[3,4- d]pyrimidin-4-yl)urea hydrochloride
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| Structure |
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| Formula |
C23H33N7O
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| Molecular Weight |
423.565
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| Canonical SMILES |
O=C(Nc1ncnc2n(CCN3CCCCC3)ncc12)NC12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C23H33N7O/c31-22(28-23-11-16-8-17(12-23)10-18(9-16)13-23)27-20-19-14-26-30(21(19)25-15-24-20)7-6-29-4-2-1-3-5-29/h14-18H,1-13H2,(H2,24,25,27,28,31)
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| InChIKey |
OHDSERAUEDNIPZ-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