General Information of the Compound
| Compound ID |
CP0441004
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| Compound Name |
(3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[3-(2-methyl-piperidin-1-yl)-propyl]-decahydro-naphtho[2,3-c]furan-1-one
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| Structure |
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| Formula |
C22H37NO2
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| Molecular Weight |
347.543
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| Canonical SMILES |
C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCCC3C)[C@@H]12
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| InChI |
InChI=1S/C22H37NO2/c1-15-8-5-6-12-23(15)13-7-11-19-18-10-4-3-9-17(18)14-20-21(19)16(2)25-22(20)24/h15-21H,3-14H2,1-2H3/t15?,16-,17+,18-,19+,20-,21+/m0/s1
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| InChIKey |
ADHSKYZRIOAFEG-SPHRIPSTSA-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