General Information of the Compound
| Compound ID |
CP0549078
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| Compound Name |
N-(1-(2-(azepan-1- yl)ethyl)-1H-pyrazolo[3,4- d]pyrimidin-4-yl)-2,2,3,3- tetramethylcyclopropane- carboxamide citrate
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| Structure |
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| Formula |
C21H32N6O
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| Molecular Weight |
384.528
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| Canonical SMILES |
CC1(C)C(C(=O)Nc2ncnc3n(CCN4CCCCCC4)ncc23)C1(C)C
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| InChI |
InChI=1S/C21H32N6O/c1-20(2)16(21(20,3)4)19(28)25-17-15-13-24-27(18(15)23-14-22-17)12-11-26-9-7-5-6-8-10-26/h13-14,16H,5-12H2,1-4H3,(H,22,23,25,28)
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| InChIKey |
YQYOFUSEEMIJTI-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