General Information of the Compound
| Compound ID |
CP0442582
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| Compound Name |
2-((5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
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| Structure |
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| Formula |
C19H19Cl2NO2
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| Molecular Weight |
364.272
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| Canonical SMILES |
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CC(O)=O)cc12
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| InChI |
InChI=1S/C19H19Cl2NO2/c1-22-18-7-5-13(12-3-6-16(20)17(21)10-12)14-4-2-11(8-15(14)18)9-19(23)24/h2-4,6,8,10,13,18,22H,5,7,9H2,1H3,(H,23,24)/t13-,18-/m0/s1
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| InChIKey |
UPTXQSAYNARODX-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