General Information of the Compound
| Compound ID |
CP0051463
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| Compound Name |
(E)-N-(Adamant-1-yl)-6-[2-(4-methoxyphenyl)vinyl]-4-oxo-1-pentyl-1,4-dihydroquinoline-3-carboxamide
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| Structure |
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| Formula |
C34H40N2O3
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| Molecular Weight |
524.705
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| Canonical SMILES |
CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(\C=C\c3ccc(OC)cc3)ccc12
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| InChI |
InChI=1S/C34H40N2O3/c1-3-4-5-14-36-22-30(33(38)35-34-19-25-15-26(20-34)17-27(16-25)21-34)32(37)29-18-24(10-13-31(29)36)7-6-23-8-11-28(39-2)12-9-23/h6-13,18,22,25-27H,3-5,14-17,19-21H2,1-2H3,(H,35,38)/b7-6+
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| InChIKey |
HJPRUFSAUYPGHI-VOTSOKGWSA-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