General Information of the Compound
| Compound ID |
CP0885041
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| Compound Name |
{3-[1-(2,6-Difluoro-phenyl)-6-fluoro-2,2-dioxo-1,2,3,4-tetrahydro-2lambda*6*-benzo[c][1,2]thiazin-3-yl]-propyl}-methyl-amine hydrochloride
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| Structure |
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| Formula |
C18H20ClF3N2O2S
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| Molecular Weight |
420.884
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| Canonical SMILES |
CNCCCC1Cc2cc(F)ccc2N(c2c(F)cccc2F)S1(=O)=O.Cl
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| InChI |
InChI=1S/C18H19F3N2O2S.ClH/c1-22-9-3-4-14-11-12-10-13(19)7-8-17(12)23(26(14,24)25)18-15(20)5-2-6-16(18)21;/h2,5-8,10,14,22H,3-4,9,11H2,1H3;1H
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| InChIKey |
UCFNHHVPDLJJEJ-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