General Information of the Compound
| Compound ID |
CP0488601
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| Compound Name |
tert-butyl N-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-phenylpiperidin-4-yl]carbamate
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| Structure |
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| Formula |
C33H32Cl2N6O2
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| Molecular Weight |
615.565
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| Canonical SMILES |
CC(C)(C)OC(=O)NC1(CCN(CC1)c1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1)c1ccccc1
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| InChI |
InChI=1S/C33H32Cl2N6O2/c1-32(2,3)43-31(42)39-33(22-9-5-4-6-10-22)17-19-40(20-18-33)29-27-30(37-21-36-29)41(24-15-13-23(34)14-16-24)28(38-27)25-11-7-8-12-26(25)35/h4-16,21H,17-20H2,1-3H3,(H,39,42)
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| InChIKey |
DUEDSPYMVNBUKD-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