General Information of the Compound
| Compound ID |
CP0375861
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| Compound Name |
1-[2-[(2R)-morpholin-2-yl]ethyl]-3-(2,4,6-trifluorophenyl)-2lambda6,1,3-benzothiadiazole 2,2-dioxide
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| Structure |
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| Formula |
C18H18F3N3O3S
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| Molecular Weight |
413.421
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| Canonical SMILES |
Fc1cc(F)c(N2c3ccccc3N(CC[C@@H]3CNCCO3)S2(=O)=O)c(F)c1
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| InChI |
InChI=1S/C18H18F3N3O3S/c19-12-9-14(20)18(15(21)10-12)24-17-4-2-1-3-16(17)23(28(24,25)26)7-5-13-11-22-6-8-27-13/h1-4,9-10,13,22H,5-8,11H2/t13-/m1/s1
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| InChIKey |
IODCZMRTDNJNCT-CYBMUJFWSA-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: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter