General Information of the Compound
| Compound ID |
CP0528957
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| Compound Name |
N-(1-(2-(Azepan-1- yl)ethyl)-1H-pyrazolo[3,4- d]pyrimidin-4-yl)-2,4- dichlorobenzamide hydrochloride
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| Structure |
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| Formula |
C20H22Cl2N6O
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| Molecular Weight |
433.343
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| Canonical SMILES |
Clc1ccc(C(=O)Nc2ncnc3n(CCN4CCCCCC4)ncc23)c(Cl)c1
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| InChI |
InChI=1S/C20H22Cl2N6O/c21-14-5-6-15(17(22)11-14)20(29)26-18-16-12-25-28(19(16)24-13-23-18)10-9-27-7-3-1-2-4-8-27/h5-6,11-13H,1-4,7-10H2,(H,23,24,26,29)
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| InChIKey |
FMTYEEHAIYQMLT-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