General Information of the Compound
| Compound ID |
CP0401971
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| Compound Name |
6-(6-Methoxy-pyridin-3-yl)-4-oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic acid adamantan-1-ylamide
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| Structure |
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| Formula |
C31H37N3O3
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| Molecular Weight |
499.655
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| Canonical SMILES |
CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1ccc(OC)nc1
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| InChI |
InChI=1S/C31H37N3O3/c1-3-4-5-10-34-19-26(30(36)33-31-15-20-11-21(16-31)13-22(12-20)17-31)29(35)25-14-23(6-8-27(25)34)24-7-9-28(37-2)32-18-24/h6-9,14,18-22H,3-5,10-13,15-17H2,1-2H3,(H,33,36)
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| InChIKey |
BCGTVVSGKJYVTL-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