General Information of the Compound
| Compound ID |
CP0441801
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| Compound Name |
(5S,8S)-8-(3,4-dichlorophenyl)-5-(methylamino)-3-(methylsulfonamido)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C19H20Cl2N2O4S
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| Molecular Weight |
443.352
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| Canonical SMILES |
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(C(O)=O)c(NS(C)(=O)=O)cc12
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| InChI |
InChI=1S/C19H20Cl2N2O4S/c1-22-17-6-4-11(10-3-5-15(20)16(21)7-10)12-8-14(19(24)25)18(9-13(12)17)23-28(2,26)27/h3,5,7-9,11,17,22-23H,4,6H2,1-2H3,(H,24,25)/t11-,17-/m0/s1
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| InChIKey |
TZMILLWOFHAFNQ-GTNSWQLSSA-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