General Information of the Compound
| Compound ID |
CP0428015
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| Compound Name |
tert-butyl 4-[[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]amino]piperidine-1-carboxylate
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| Structure |
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| Formula |
C27H28Cl2N6O2
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| Molecular Weight |
539.467
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)Nc1ncnc2n(c(nc12)-c1ccccc1Cl)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H28Cl2N6O2/c1-27(2,3)37-26(36)34-14-12-18(13-15-34)32-23-22-25(31-16-30-23)35(19-10-8-17(28)9-11-19)24(33-22)20-6-4-5-7-21(20)29/h4-11,16,18H,12-15H2,1-3H3,(H,30,31,32)
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| InChIKey |
NSNQHMACSLZVFE-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