General Information of the Compound
| Compound ID |
CP0214842
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| Compound Name |
(3-(9-((1-benzylpiperidin-4-yl)methyl)-6-morpholino-9H-purin-2-yl)phenyl)methanol
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| Structure |
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| Formula |
C29H34N6O2
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| Molecular Weight |
498.631
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| Canonical SMILES |
OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(CC3CCN(Cc4ccccc4)CC3)c2n1
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| InChI |
InChI=1S/C29H34N6O2/c36-20-24-7-4-8-25(17-24)27-31-28(34-13-15-37-16-14-34)26-29(32-27)35(21-30-26)19-23-9-11-33(12-10-23)18-22-5-2-1-3-6-22/h1-8,17,21,23,36H,9-16,18-20H2
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| InChIKey |
OMHJCIKDJWLJRR-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