General Information of the Compound
| Compound ID |
CP0426088
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| Compound Name |
5-cyano-N-(3-hydroxy-3-methylbutyl)-1-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
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| Structure |
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| Formula |
C24H24F3N3O2
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| Molecular Weight |
443.469
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| Canonical SMILES |
Cc1ccc(cc1Cn1c(cc2cc(ccc12)C#N)C(=O)NCCC(C)(C)O)C(F)(F)F
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| InChI |
InChI=1S/C24H24F3N3O2/c1-15-4-6-19(24(25,26)27)11-18(15)14-30-20-7-5-16(13-28)10-17(20)12-21(30)22(31)29-9-8-23(2,3)32/h4-7,10-12,32H,8-9,14H2,1-3H3,(H,29,31)
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| InChIKey |
XFHQUBLMPHMGJZ-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