General Information of the Compound
| Compound ID |
CP0851840
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| Compound Name |
rac-(3aS,7aS)-3a-(3,4-dichlorobenzyl)-2-methyloctahydro-1H-isoindole
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| Structure |
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| Formula |
C16H21Cl2N
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| Molecular Weight |
298.257
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| Canonical SMILES |
CN1C[C@H]2CCCC[C@@]2(Cc2ccc(Cl)c(Cl)c2)C1
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| InChI |
InChI=1S/C16H21Cl2N/c1-19-10-13-4-2-3-7-16(13,11-19)9-12-5-6-14(17)15(18)8-12/h5-6,8,13H,2-4,7,9-11H2,1H3/t13-,16-/m1/s1
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| InChIKey |
CHWUQEOFMAPDHN-CZUORRHYSA-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