General Information of the Compound
| Compound ID |
CP0386598
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| Compound Name |
(5S,8S)-5-(3,4-dichlorophenyl)-N-(2-hydroxyethyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
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| Structure |
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| Formula |
C19H22Cl2N2O3S
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| Molecular Weight |
429.369
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| Canonical SMILES |
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(cc12)S(=O)(=O)NCCO
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| InChI |
InChI=1S/C19H22Cl2N2O3S/c1-22-19-7-5-14(12-2-6-17(20)18(21)10-12)15-4-3-13(11-16(15)19)27(25,26)23-8-9-24/h2-4,6,10-11,14,19,22-24H,5,7-9H2,1H3/t14-,19-/m0/s1
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| InChIKey |
FHRNDZQBSORXCR-LIRRHRJNSA-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