General Information of the Compound
| Compound ID |
CP0498311
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| Compound Name |
4-oxo-1-pentyl-7-phenylsulfanyl-N-piperidin-1-ylquinoline-3-carboxamide
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| Structure |
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| Formula |
C26H31N3O2S
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| Molecular Weight |
449.62
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| Canonical SMILES |
CCCCCn1cc(C(=O)NN2CCCCC2)c(=O)c2ccc(Sc3ccccc3)cc12
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| InChI |
InChI=1S/C26H31N3O2S/c1-2-3-8-15-28-19-23(26(31)27-29-16-9-5-10-17-29)25(30)22-14-13-21(18-24(22)28)32-20-11-6-4-7-12-20/h4,6-7,11-14,18-19H,2-3,5,8-10,15-17H2,1H3,(H,27,31)
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| InChIKey |
ZQSCPHDJBUPVLZ-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