General Information of the Compound
| Compound ID |
CP0481591
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| Compound Name |
(3S,3aR,4R,4aS,8aR,9aS)-4-[3-(3,4-Dihydro-1H-isoquinolin-2-yl)-propyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one
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| Structure |
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| Formula |
C25H35NO2
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| Molecular Weight |
381.56
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| Canonical SMILES |
C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCc4ccccc4C3)[C@@H]12
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| InChI |
InChI=1S/C25H35NO2/c1-17-24-22(21-10-5-4-8-19(21)15-23(24)25(27)28-17)11-6-13-26-14-12-18-7-2-3-9-20(18)16-26/h2-3,7,9,17,19,21-24H,4-6,8,10-16H2,1H3/t17-,19+,21-,22+,23-,24+/m0/s1
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| InChIKey |
OJKKZNGEMBSWMR-IWAQDRFTSA-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2