General Information of the Compound
| Compound ID |
CP0418513
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| Compound Name |
6-(3,5-Dimethyl-isoxazol-4-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 |
C30H37N3O3
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| Molecular Weight |
487.644
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| Canonical SMILES |
CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2cc(ccc12)-c1c(C)noc1C
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| InChI |
InChI=1S/C30H37N3O3/c1-4-5-6-9-33-17-25(29(35)31-30-14-20-10-21(15-30)12-22(11-20)16-30)28(34)24-13-23(7-8-26(24)33)27-18(2)32-36-19(27)3/h7-8,13,17,20-22H,4-6,9-12,14-16H2,1-3H3,(H,31,35)
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| InChIKey |
HUMQXAQBYTVYGA-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