General Information of the Compound
Compound ID |
CP0565576
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Compound Name |
US9682955, 40
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Structure |
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Formula |
C33H27Cl2F3N4O3
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Molecular Weight |
655.504
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Canonical SMILES |
OCCNC(=O)COc1nc(NCc2cccc(c2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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InChI |
InChI=1S/C33H27Cl2F3N4O3/c34-25-9-4-21(5-10-25)30(22-6-11-26(35)12-7-22)23-8-13-28-27(17-23)31(42-32(41-28)45-19-29(44)39-14-15-43)40-18-20-2-1-3-24(16-20)33(36,37)38/h1-13,16-17,30,43H,14-15,18-19H2,(H,39,44)(H,40,41,42)
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InChIKey |
YMRAMJXPOJXMAC-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