General Information of the Compound
| Compound ID |
CP0257793
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| Compound Name |
6-(2,4-Dichloro-benzyl)-4-oxo-1-pentyl-1,4-dihydro-quinoline-3-carboxylic acid adamantan-1-ylamide
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| Structure |
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| Formula |
C32H36Cl2N2O2
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| Molecular Weight |
551.558
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| Canonical SMILES |
CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(Cc3ccc(Cl)cc3Cl)ccc12
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| InChI |
InChI=1S/C32H36Cl2N2O2/c1-2-3-4-9-36-19-27(31(38)35-32-16-21-10-22(17-32)12-23(11-21)18-32)30(37)26-14-20(5-8-29(26)36)13-24-6-7-25(33)15-28(24)34/h5-8,14-15,19,21-23H,2-4,9-13,16-18H2,1H3,(H,35,38)
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| InChIKey |
NBOPEWLMUUDDKV-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