General Information of the Compound
| Compound ID |
CP0426089
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| Compound Name |
5-cyano-N-(3-hydroxy-2,2-dimethylpropyl)-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxamide
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| Structure |
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| Formula |
C23H22F3N3O3
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| Molecular Weight |
445.441
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| Canonical SMILES |
CC(C)(CO)CNC(=O)c1cc2cc(ccc2n1Cc1cccc(OC(F)(F)F)c1)C#N
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| InChI |
InChI=1S/C23H22F3N3O3/c1-22(2,14-30)13-28-21(31)20-10-17-8-15(11-27)6-7-19(17)29(20)12-16-4-3-5-18(9-16)32-23(24,25)26/h3-10,30H,12-14H2,1-2H3,(H,28,31)
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| InChIKey |
YSVLXDHZTYHVCF-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