General Information of the Compound
| Compound ID |
CP0911847
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| Compound Name |
Adamantane-1-carboxylic acid [1-(4-diisopropylamino-butyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-amide
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| Structure |
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| Formula |
C26H40N6O
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| Molecular Weight |
452.647
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| Canonical SMILES |
CC(C)N(CCCCn1ncc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)ncnc21)C(C)C
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| InChI |
InChI=1S/C26H40N6O/c1-17(2)31(18(3)4)7-5-6-8-32-24-22(15-29-32)23(27-16-28-24)30-25(33)26-12-19-9-20(13-26)11-21(10-19)14-26/h15-21H,5-14H2,1-4H3,(H,27,28,30,33)
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| InChIKey |
GURZEMPLPXAXMN-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