General Information of the Compound
| Compound ID |
CP0477728
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| Compound Name |
CHEMBL1834277
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| Formula |
C25H28Cl3N5O3S
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| Molecular Weight |
584.957
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| Canonical SMILES |
Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CC[C@@H](CNS(N)(=O)=O)CC1
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| InChI |
InChI=1S/C25H28Cl3N5O3S/c1-15-23(25(34)30-13-16-2-4-17(5-3-16)14-31-37(29,35)36)32-33(22-11-10-20(27)12-21(22)28)24(15)18-6-8-19(26)9-7-18/h6-12,16-17,31H,2-5,13-14H2,1H3,(H,30,34)(H2,29,35,36)/t16-,17+
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| InChIKey |
RHPHCZQYECTNKO-CALCHBBNSA-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