General Information of the Compound
| Compound ID |
CP0441121
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| Compound Name |
US9187480, N-{1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]piperidin-4-yl}cyclohexanecarboxamide
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| Structure |
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| Formula |
C29H30Cl2N6O
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| Molecular Weight |
549.506
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| Canonical SMILES |
Clc1ccc(cc1)-n1c(nc2c(ncnc12)N1CCC(CC1)NC(=O)C1CCCCC1)-c1ccccc1Cl
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| InChI |
InChI=1S/C29H30Cl2N6O/c30-20-10-12-22(13-11-20)37-26(23-8-4-5-9-24(23)31)35-25-27(32-18-33-28(25)37)36-16-14-21(15-17-36)34-29(38)19-6-2-1-3-7-19/h4-5,8-13,18-19,21H,1-3,6-7,14-17H2,(H,34,38)
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| InChIKey |
ZNUUCWGFYUPEHD-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