General Information of the Compound
| Compound ID |
CP0466978
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| Compound Name |
(3S,3aR,4R,4aS,8aR,9aS)-4-[3-(3,3-Dimethyl-piperidin-1-yl)-propyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one
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| Structure |
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| Formula |
C23H39NO2
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| Molecular Weight |
361.57
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| Canonical SMILES |
C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(C)(C)C3)[C@@H]12
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| InChI |
InChI=1S/C23H39NO2/c1-16-21-19(10-6-12-24-13-7-11-23(2,3)15-24)18-9-5-4-8-17(18)14-20(21)22(25)26-16/h16-21H,4-15H2,1-3H3/t16-,17+,18-,19+,20-,21+/m0/s1
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| InChIKey |
KEEHNWJFNGQLMW-AUYGFBLUSA-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