General Information of the Compound
| Compound ID |
CP0493047
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| Compound Name |
6-((E)-3,3-Dimethyl-but-1-enyl)-4-oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic acid adamantan-1-ylamide
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| Structure |
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| Formula |
C31H42N2O2
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| Molecular Weight |
474.689
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| Canonical SMILES |
CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(\C=C\C(C)(C)C)ccc12
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| InChI |
InChI=1S/C31H42N2O2/c1-5-6-7-12-33-20-26(28(34)25-16-21(8-9-27(25)33)10-11-30(2,3)4)29(35)32-31-17-22-13-23(18-31)15-24(14-22)19-31/h8-11,16,20,22-24H,5-7,12-15,17-19H2,1-4H3,(H,32,35)/b11-10+
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| InChIKey |
JHYKGBVUBGBCCH-ZHACJKMWSA-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