General Information of the Compound
| Compound ID |
CP0399359
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| Compound Name |
(3S,3aR,4R,4aS,8aR,9aS)-4-[3-(2-Ethyl-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 |
CCC1CCCCN1CCC[C@H]1[C@H]2[C@H](C)OC(=O)[C@H]2C[C@H]2CCCC[C@H]12
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| InChI |
InChI=1S/C23H39NO2/c1-3-18-10-6-7-13-24(18)14-8-12-20-19-11-5-4-9-17(19)15-21-22(20)16(2)26-23(21)25/h16-22H,3-15H2,1-2H3/t16-,17+,18?,19-,20+,21-,22+/m0/s1
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| InChIKey |
WZYQNTPWCRAGPJ-XPGAHIJWSA-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