General Information of the Compound
| Compound ID |
CP0945590
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| Compound Name |
Adamantane-1-carboxylic acid [1-(4-morpholin-4-yl-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-amide
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| Structure |
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| Formula |
C24H34N6O2
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| Molecular Weight |
438.576
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| Canonical SMILES |
O=C(Nc1ncnc2c1cnn2CCCCN1CCOCC1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C24H34N6O2/c31-23(24-12-17-9-18(13-24)11-19(10-17)14-24)28-21-20-15-27-30(22(20)26-16-25-21)4-2-1-3-29-5-7-32-8-6-29/h15-19H,1-14H2,(H,25,26,28,31)
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| InChIKey |
CNHKEJWFGGCVAP-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