General Information of the Compound
| Compound ID |
CP0458791
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| Compound Name |
1-[2-[(2S)-morpholin-2-yl]ethyl]-3-phenyl-2lambda6,1,3-benzothiadiazole 2,2-dioxide
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| Structure |
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| Formula |
C18H21N3O3S
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| Molecular Weight |
359.451
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| Canonical SMILES |
O=S1(=O)N(CC[C@H]2CNCCO2)c2ccccc2N1c1ccccc1
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| InChI |
InChI=1S/C18H21N3O3S/c22-25(23)20(12-10-16-14-19-11-13-24-16)17-8-4-5-9-18(17)21(25)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2/t16-/m0/s1
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| InChIKey |
QVFGNQQNMCPCBY-INIZCTEOSA-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