General Information of the Compound
| Compound ID |
CP0396686
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| Compound Name |
CHEMBL1834021
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| Formula |
C26H29Cl3N4O3S
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| Molecular Weight |
583.969
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CC[C@@H](CNS(C)(=O)=O)CC1
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| InChI |
InChI=1S/C26H29Cl3N4O3S/c1-16-24(26(34)30-14-17-3-5-18(6-4-17)15-31-37(2,35)36)32-33(23-12-11-21(28)13-22(23)29)25(16)19-7-9-20(27)10-8-19/h7-13,17-18,31H,3-6,14-15H2,1-2H3,(H,30,34)/t17-,18+
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| InChIKey |
XCUGJBBEKXFPSM-HDICACEKSA-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