General Information of the Compound
| Compound ID |
CP0524231
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| Compound Name |
1-((1r,4r)-4-morpholinocyclohexyl)-3-(2-(naphthalen-2-ylmethyl)-1H-benzo[d]imidazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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| Formula |
C33H34N8O
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| Molecular Weight |
558.69
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| Canonical SMILES |
Nc1ncnc2n(nc(-c3ccc4nc(Cc5ccc6ccccc6c5)[nH]c4c3)c12)[C@H]1CC[C@@H](CC1)N1CCOCC1
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| InChI |
InChI=1S/C33H34N8O/c34-32-30-31(39-41(33(30)36-20-35-32)26-10-8-25(9-11-26)40-13-15-42-16-14-40)24-7-12-27-28(19-24)38-29(37-27)18-21-5-6-22-3-1-2-4-23(22)17-21/h1-7,12,17,19-20,25-26H,8-11,13-16,18H2,(H,37,38)(H2,34,35,36)/t25-,26-
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| InChIKey |
HKJBPQRDHDEVGI-DIVCQZSQSA-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