General Information of the Compound
| Compound ID |
CP0538957
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| Compound Name |
N-(1-(2-(azepan-1- yl)ethyl)-1H-pyrazolo[3,4- d]pyrimidin-4-yl)-4- fluorobenzamide citrate
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| Structure |
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| Formula |
C20H23FN6O
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| Molecular Weight |
382.443
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
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| InChI |
InChI=1S/C20H23FN6O/c21-16-7-5-15(6-8-16)20(28)25-18-17-13-24-27(19(17)23-14-22-18)12-11-26-9-3-1-2-4-10-26/h5-8,13-14H,1-4,9-12H2,(H,22,23,25,28)
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| InChIKey |
YOAYREJMPDJKKK-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