General Information of the Compound
| Compound ID |
CP0509603
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| Compound Name |
4-[6-fluoro-1-(2-fluorophenyl)-2,2-dioxo-4H-2lambda6,1,3-benzothiadiazin-3-yl]-N-methylbutan-1-amine
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| Structure |
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| Formula |
C18H21F2N3O2S
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| Molecular Weight |
381.448
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| Canonical SMILES |
CNCCCCN1Cc2cc(F)ccc2N(c2ccccc2F)S1(=O)=O
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| InChI |
InChI=1S/C18H21F2N3O2S/c1-21-10-4-5-11-22-13-14-12-15(19)8-9-17(14)23(26(22,24)25)18-7-3-2-6-16(18)20/h2-3,6-9,12,21H,4-5,10-11,13H2,1H3
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| InChIKey |
JLHRDEJKVFNGBV-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