General Information of the Compound
| Compound ID |
CP0458793
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| Compound Name |
3-(2,4-difluorophenyl)-1-[2-[(2R)-morpholin-2-yl]ethyl]-2lambda6,1,3-benzothiadiazole 2,2-dioxide
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| Structure |
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| Formula |
C18H19F2N3O3S
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| Molecular Weight |
395.431
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| Canonical SMILES |
Fc1ccc(N2c3ccccc3N(CC[C@@H]3CNCCO3)S2(=O)=O)c(F)c1
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| InChI |
InChI=1S/C18H19F2N3O3S/c19-13-5-6-16(15(20)11-13)23-18-4-2-1-3-17(18)22(27(23,24)25)9-7-14-12-21-8-10-26-14/h1-6,11,14,21H,7-10,12H2/t14-/m1/s1
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| InChIKey |
GRFGQBNGPFNYCF-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