General Information of the Compound
| Compound ID |
CP0385621
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| Compound Name |
US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]piperidin-4-yl}pentanamide
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| Synonyms |
Diphenyl purine derivative 5
PMID26161824-Compound-154
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| Structure |
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| Formula |
C27H28Cl2N6O
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| Molecular Weight |
523.468
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| Canonical SMILES |
CCCCC(=O)NC1CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H28Cl2N6O/c1-2-3-8-23(36)32-19-13-15-34(16-14-19)26-24-27(31-17-30-26)35(20-11-9-18(28)10-12-20)25(33-24)21-6-4-5-7-22(21)29/h4-7,9-12,17,19H,2-3,8,13-16H2,1H3,(H,32,36)
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| InChIKey |
JSIOAJBHLWGADL-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
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Clinical Information about the Compound