General Information of the Compound
| Compound ID |
CP0525504
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| Compound Name |
N-(2-morpholin-4-ylethyl)-4-oxo-1-pentyl-7-phenylsulfanylquinoline-3-carboxamide
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| Structure |
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| Formula |
C27H33N3O3S
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| Molecular Weight |
479.646
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| Canonical SMILES |
CCCCCn1cc(C(=O)NCCN2CCOCC2)c(=O)c2ccc(Sc3ccccc3)cc12
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| InChI |
InChI=1S/C27H33N3O3S/c1-2-3-7-13-30-20-24(27(32)28-12-14-29-15-17-33-18-16-29)26(31)23-11-10-22(19-25(23)30)34-21-8-5-4-6-9-21/h4-6,8-11,19-20H,2-3,7,12-18H2,1H3,(H,28,32)
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| InChIKey |
YZNSJNQGGXJZLD-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