General Information of the Compound
| Compound ID |
CP0498310
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| Compound Name |
N-[(3,4-dichlorophenyl)methyl]-4-oxo-1-pentyl-7-phenylquinoline-3-carboxamide
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| Structure |
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| Formula |
C28H26Cl2N2O2
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| Molecular Weight |
493.434
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| Canonical SMILES |
CCCCCn1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(=O)c2ccc(cc12)-c1ccccc1
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| InChI |
InChI=1S/C28H26Cl2N2O2/c1-2-3-7-14-32-18-23(28(34)31-17-19-10-13-24(29)25(30)15-19)27(33)22-12-11-21(16-26(22)32)20-8-5-4-6-9-20/h4-6,8-13,15-16,18H,2-3,7,14,17H2,1H3,(H,31,34)
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| InChIKey |
KOBWCKPPQPCMSU-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