General Information of the Compound
| Compound ID |
CP0406685
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| Compound Name |
(3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-(3-piperazin-1-yl-propyl)-decahydro-naphtho[2,3-c]furan-1-one
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| Structure |
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| Formula |
C20H34N2O2
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| Molecular Weight |
334.504
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| Canonical SMILES |
C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCNCC3)[C@@H]12
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| InChI |
InChI=1S/C20H34N2O2/c1-14-19-17(7-4-10-22-11-8-21-9-12-22)16-6-3-2-5-15(16)13-18(19)20(23)24-14/h14-19,21H,2-13H2,1H3/t14-,15+,16-,17+,18-,19+/m0/s1
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| InChIKey |
HBTKBVHHHHARGJ-UDFCFZJOSA-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