General Information of the Compound
| Compound ID |
CP0375860
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| Compound Name |
3-(2-fluorophenyl)-1-[2-[(2R)-morpholin-2-yl]ethyl]-2lambda6,1,3-benzothiadiazole 2,2-dioxide
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| Structure |
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| Formula |
C18H20FN3O3S
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| Molecular Weight |
377.441
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| Canonical SMILES |
Fc1ccccc1N1c2ccccc2N(CC[C@@H]2CNCCO2)S1(=O)=O
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| InChI |
InChI=1S/C18H20FN3O3S/c19-15-5-1-2-6-16(15)22-18-8-4-3-7-17(18)21(26(22,23)24)11-9-14-13-20-10-12-25-14/h1-8,14,20H,9-13H2/t14-/m1/s1
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| InChIKey |
UIKJCHWTULEUKX-CQSZACIVSA-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