General Information of the Compound
| Compound ID |
CP0386599
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| Compound Name |
(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
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| Structure |
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| Formula |
C18H16Cl2N2
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| Molecular Weight |
331.246
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| Canonical SMILES |
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)C#N
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| InChI |
InChI=1S/C18H16Cl2N2/c1-22-18-7-5-13(12-3-6-16(19)17(20)9-12)14-4-2-11(10-21)8-15(14)18/h2-4,6,8-9,13,18,22H,5,7H2,1H3/t13-,18-/m0/s1
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| InChIKey |
CROGUKBPHFMYKB-UGSOOPFHSA-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