General Information of the Compound
| Compound ID |
CP0440599
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| Compound Name |
((3R,4R)-1,1-Dioxo-4-o-tolyloxy-1lambda*6*-thiochroman-3-ylmethyl)-methyl-amine
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| Structure |
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| Formula |
C18H21NO3S
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| Molecular Weight |
331.437
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| Canonical SMILES |
CNC[C@H]1CS(=O)(=O)c2ccccc2[C@@H]1Oc1ccccc1C
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| InChI |
InChI=1S/C18H21NO3S/c1-13-7-3-5-9-16(13)22-18-14(11-19-2)12-23(20,21)17-10-6-4-8-15(17)18/h3-10,14,18-19H,11-12H2,1-2H3/t14-,18+/m0/s1
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| InChIKey |
KXCIACPDRWQKBQ-KBXCAEBGSA-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