General Information of the Compound
| Compound ID |
CP0181662
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| Compound Name |
3-(9-((1-benzylpiperidin-4-yl)methyl)-6-morpholino-9H-purin-2-yl)phenol
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| Structure |
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| Formula |
C28H32N6O2
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| Molecular Weight |
484.604
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| Canonical SMILES |
Oc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(CC3CCN(Cc4ccccc4)CC3)c2n1
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| InChI |
InChI=1S/C28H32N6O2/c35-24-8-4-7-23(17-24)26-30-27(33-13-15-36-16-14-33)25-28(31-26)34(20-29-25)19-22-9-11-32(12-10-22)18-21-5-2-1-3-6-21/h1-8,17,20,22,35H,9-16,18-19H2
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| InChIKey |
HGLYXSLZOIRAJP-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