General Information of the Compound
| Compound ID |
CP0570537
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| Compound Name |
US9682955, 145
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| Structure |
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| Formula |
C27H23Cl2F3N4O2S
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| Molecular Weight |
595.474
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| Canonical SMILES |
FC(F)(F)S(=O)(=O)N1CCC(CC1)Nc1ncnc2ccc(cc12)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H23Cl2F3N4O2S/c28-20-6-1-17(2-7-20)25(18-3-8-21(29)9-4-18)19-5-10-24-23(15-19)26(34-16-33-24)35-22-11-13-36(14-12-22)39(37,38)27(30,31)32/h1-10,15-16,22,25H,11-14H2,(H,33,34,35)
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| InChIKey |
RWFZLPYQONOIGR-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