General Information of the Compound
| Compound ID |
CP0238995
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| Compound Name |
2-[1-[[2-[2-(1-methoxyethyl)benzimidazol-1-yl]-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]propan-2-ol
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| Structure |
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| Formula |
C29H40N8O3
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| Molecular Weight |
548.692
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| Canonical SMILES |
COC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(CC3)C(C)(C)O)n(C)c2n1
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| InChI |
InChI=1S/C29H40N8O3/c1-19(39-5)25-30-21-8-6-7-9-22(21)37(25)28-32-26-24(27(33-28)36-14-16-40-17-15-36)31-23(34(26)4)18-35-12-10-20(11-13-35)29(2,3)38/h6-9,19-20,38H,10-18H2,1-5H3
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| InChIKey |
CESJTIZZYAOPKQ-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