General Information of the Compound
| Compound ID |
CP0538165
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| Compound Name |
US8895592, 6
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| Formula |
C24H29F3N4O2S
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| Molecular Weight |
494.583
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| Canonical SMILES |
CC(C)Cn1cc(s\c1=N/C(=O)c1cc(ccc1OCCn1ccnc1)C(F)(F)F)C(C)(C)C
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| InChI |
InChI=1S/C24H29F3N4O2S/c1-16(2)13-31-14-20(23(3,4)5)34-22(31)29-21(32)18-12-17(24(25,26)27)6-7-19(18)33-11-10-30-9-8-28-15-30/h6-9,12,14-16H,10-11,13H2,1-5H3/b29-22-
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| InChIKey |
ULHHCDBTCSWUKI-IADYIPOJSA-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: PT02333, Cannabinoid receptor 2
Protein ID: PT00834, Cannabinoid receptor 2