General Information of the Compound
| Compound ID |
CP0872272
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| Compound Name |
Cis-rac-(3aS,7aR)-3a-(2,4-dichlorophenyl)-2-methyloctahydro-1H-isoindole
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| Structure |
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| Formula |
C15H19Cl2N
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| Molecular Weight |
284.23
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| Canonical SMILES |
CN1C[C@@H]2CCCC[C@]2(c2ccc(Cl)cc2Cl)C1
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| InChI |
InChI=1S/C15H19Cl2N/c1-18-9-11-4-2-3-7-15(11,10-18)13-6-5-12(16)8-14(13)17/h5-6,8,11H,2-4,7,9-10H2,1H3/t11-,15-/m0/s1
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| InChIKey |
FCMFWPCHZOKPLR-NHYWBVRUSA-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