General Information of the Compound
| Compound ID |
CP0851835
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| Compound Name |
Cis-rac-(3aS,7aR)-2-methyl-3a-phenyloctahydro-1H-isoindole
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| Structure |
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| Formula |
C15H21N
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| Molecular Weight |
215.34
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| Canonical SMILES |
CN1C[C@@H]2CCCC[C@]2(c2ccccc2)C1
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| InChI |
InChI=1S/C15H21N/c1-16-11-14-9-5-6-10-15(14,12-16)13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-12H2,1H3/t14-,15+/m0/s1
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| InChIKey |
KOMUTRYSVZSJSV-LSDHHAIUSA-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