General Information of the Compound
| Compound ID |
CP0486648
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| Compound Name |
US9682955, 54
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| Structure |
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| Formula |
C34H30Cl2F3N3O4
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| Molecular Weight |
672.531
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| Canonical SMILES |
OCC(CO)(CO)COc1nc(NCc2cccc(c2)C(F)(F)F)c2cc(ccc2n1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C34H30Cl2F3N3O4/c35-26-9-4-22(5-10-26)30(23-6-11-27(36)12-7-23)24-8-13-29-28(15-24)31(40-16-21-2-1-3-25(14-21)34(37,38)39)42-32(41-29)46-20-33(17-43,18-44)19-45/h1-15,30,43-45H,16-20H2,(H,40,41,42)
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| InChIKey |
ONTYEGURWWIAAP-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