General Information of the Compound
| Compound ID |
CP0888363
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| Compound Name |
Cis-rac-(3aS,7aR)-3a-(3,4-dimethoxyphenyl)-2-methyloctahydro-1H-isoindole
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| Structure |
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| Formula |
C17H25NO2
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| Molecular Weight |
275.392
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| Canonical SMILES |
COc1ccc([C@]23CCCC[C@H]2CN(C)C3)cc1OC
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| InChI |
InChI=1S/C17H25NO2/c1-18-11-14-6-4-5-9-17(14,12-18)13-7-8-15(19-2)16(10-13)20-3/h7-8,10,14H,4-6,9,11-12H2,1-3H3/t14-,17+/m0/s1
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| InChIKey |
ANLYZSJGJNCZJB-WMLDXEAASA-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter