General Information of the Compound
| Compound ID |
CP0386405
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| Compound Name |
N-(1-adamantyl)-6-fluoro-4-oxo-1-pentyl-7-pyrrol-1-ylquinoline-3-carboxamide
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| Structure |
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| Formula |
C29H34FN3O2
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| Molecular Weight |
475.608
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| Canonical SMILES |
CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(F)c(cc12)-n1cccc1
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| InChI |
InChI=1S/C29H34FN3O2/c1-2-3-4-9-33-18-23(28(35)31-29-15-19-10-20(16-29)12-21(11-19)17-29)27(34)22-13-24(30)26(14-25(22)33)32-7-5-6-8-32/h5-8,13-14,18-21H,2-4,9-12,15-17H2,1H3,(H,31,35)
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| InChIKey |
LJZWNBNYKQADKV-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