General Information of the Compound
| Compound ID |
CP0487219
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| Compound Name |
N-(1-(2-(azepan-1- yl)ethyl)-1H-pyrazolo[3,4- d]pyrimidin-4-yl)-4,4- difluorocyclohexanecarbox- amide maleate
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| Structure |
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| Formula |
C20H28F2N6O
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| Molecular Weight |
406.481
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| Canonical SMILES |
FC1(F)CCC(CC1)C(=O)Nc1ncnc2n(CCN3CCCCCC3)ncc12
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| InChI |
InChI=1S/C20H28F2N6O/c21-20(22)7-5-15(6-8-20)19(29)26-17-16-13-25-28(18(16)24-14-23-17)12-11-27-9-3-1-2-4-10-27/h13-15H,1-12H2,(H,23,24,26,29)
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| InChIKey |
LWGFCPSEYJLPLN-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