General Information of the Compound
| Compound ID |
CP0441685
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| Compound Name |
(3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[3-((R)-3-methyl-piperazin-1-yl)-propyl]-decahydro-naphtho[2,3-c]furan-1-one
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| Structure |
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| Formula |
C21H36N2O2
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| Molecular Weight |
348.531
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| Canonical SMILES |
C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN[C@H](C)C3)[C@@H]12
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| InChI |
InChI=1S/C21H36N2O2/c1-14-13-23(11-9-22-14)10-5-8-18-17-7-4-3-6-16(17)12-19-20(18)15(2)25-21(19)24/h14-20,22H,3-13H2,1-2H3/t14-,15+,16-,17+,18-,19+,20-/m1/s1
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| InChIKey |
OFAPIFLQCMZNOL-OUIJSLBESA-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