General Information of the Compound
Compound ID |
CP0399367
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Compound Name |
CAS_4621779
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Structure |
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Formula |
C21H30N2O4S
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Molecular Weight |
406.548
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Canonical SMILES |
CCCCNC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)N1CC(C)CC(C)C1
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InChI |
InChI=1S/C21H30N2O4S/c1-5-6-9-22-21(24)20-16(4)18-11-17(7-8-19(18)27-20)28(25,26)23-12-14(2)10-15(3)13-23/h7-8,11,14-15H,5-6,9-10,12-13H2,1-4H3,(H,22,24)
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InChIKey |
FWDQKPVLSVRYRN-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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