General Information of the Compound
| Compound ID |
CP0453373
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| Compound Name |
N-(1-hydroxybutan-2-yl)-4-oxo-1-pentyl-7-phenylsulfanylquinoline-3-carboxamide
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| Structure |
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| Formula |
C25H30N2O3S
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| Molecular Weight |
438.593
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| Canonical SMILES |
CCCCCn1cc(C(=O)NC(CC)CO)c(=O)c2ccc(Sc3ccccc3)cc12
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| InChI |
InChI=1S/C25H30N2O3S/c1-3-5-9-14-27-16-22(25(30)26-18(4-2)17-28)24(29)21-13-12-20(15-23(21)27)31-19-10-7-6-8-11-19/h6-8,10-13,15-16,18,28H,3-5,9,14,17H2,1-2H3,(H,26,30)
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| InChIKey |
GVRGHSATAUDCBX-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