General Information of the Compound
| Compound ID |
CP0470991
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| Compound Name |
2,2-Difluoro-3-[3-(2-fluorophenyl)-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]-N-methylpropan-1-amine
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| Structure |
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| Formula |
C16H16F3N3O2S
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| Molecular Weight |
371.384
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| Canonical SMILES |
CNCC(F)(F)CN1c2ccccc2N(c2ccccc2F)S1(=O)=O
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| InChI |
InChI=1S/C16H16F3N3O2S/c1-20-10-16(18,19)11-21-14-8-4-5-9-15(14)22(25(21,23)24)13-7-3-2-6-12(13)17/h2-9,20H,10-11H2,1H3
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| InChIKey |
QWFUAOOOLIDWBY-UHFFFAOYSA-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