General Information of the Compound
| Compound ID |
CP0517210
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| Compound Name |
US9732061, Compound 36
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| Structure |
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| Formula |
C24H21ClF3N5O2S2
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| Molecular Weight |
568.046
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| Canonical SMILES |
FC(F)(F)S(=O)(=O)N1CCC(CC1)Nc1cnnc2ccc(cc12)C(c1nccs1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H21ClF3N5O2S2/c25-17-4-1-15(2-5-17)22(23-29-9-12-36-23)16-3-6-20-19(13-16)21(14-30-32-20)31-18-7-10-33(11-8-18)37(34,35)24(26,27)28/h1-6,9,12-14,18,22H,7-8,10-11H2,(H,31,32)
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| InChIKey |
QHTIIIGCFXVRNT-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