General Information of the Compound
| Compound ID |
CP0859393
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| Compound Name |
{3-[1-(2-Fluoro-phenyl)-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 |
C18H22ClFN2O2S
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| Molecular Weight |
384.904
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| Canonical SMILES |
CNCCCC1Cc2ccccc2N(c2ccccc2F)S1(=O)=O.Cl
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| InChI |
InChI=1S/C18H21FN2O2S.ClH/c1-20-12-6-8-15-13-14-7-2-4-10-17(14)21(24(15,22)23)18-11-5-3-9-16(18)19;/h2-5,7,9-11,15,20H,6,8,12-13H2,1H3;1H
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| InChIKey |
DOQYJYPXUDTPLP-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