General Information of the Compound
| Compound ID |
CP0497271
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| Compound Name |
6-(furan-2-yl)-4-oxo-1-pentyl-N-((1R,2R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-yl)-1,4-dihydroquinoline-3-carboxamide
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| Structure |
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| Formula |
C29H36N2O3
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| Molecular Weight |
460.618
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| Canonical SMILES |
CCCCCn1cc(C(=O)N[C@@H]2[C@]3(C)CC[C@@H](C3)C2(C)C)c(=O)c2cc(ccc12)-c1ccco1
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| InChI |
InChI=1S/C29H36N2O3/c1-5-6-7-14-31-18-22(26(33)30-27-28(2,3)20-12-13-29(27,4)17-20)25(32)21-16-19(10-11-23(21)31)24-9-8-15-34-24/h8-11,15-16,18,20,27H,5-7,12-14,17H2,1-4H3,(H,30,33)/t20-,27-,29+/m0/s1
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| InChIKey |
MFOCUTXGCSWPHV-AVBDLTBHSA-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