General Information of the Compound
| Compound ID |
CP0482353
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| Compound Name |
9-cyclopentyl-N-[4-(morpholin-4-ylmethyl)phenyl]-2-piperidin-1-ylpurin-6-amine
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| Structure |
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| Formula |
C26H35N7O
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| Molecular Weight |
461.614
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| Canonical SMILES |
C(N1CCOCC1)c1ccc(Nc2nc(nc3n(cnc23)C2CCCC2)N2CCCCC2)cc1
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| InChI |
InChI=1S/C26H35N7O/c1-4-12-32(13-5-1)26-29-24(23-25(30-26)33(19-27-23)22-6-2-3-7-22)28-21-10-8-20(9-11-21)18-31-14-16-34-17-15-31/h8-11,19,22H,1-7,12-18H2,(H,28,29,30)
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| InChIKey |
JDFSZUCOJWNMNS-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