General Information of the Compound
| Compound ID |
CP0859394
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| Compound Name |
{3-[1-(2,6-Difluoro-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 |
C18H21ClF2N2O2S
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| Molecular Weight |
402.894
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| Canonical SMILES |
CNCCCC1Cc2ccccc2N(c2c(F)cccc2F)S1(=O)=O.Cl
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| InChI |
InChI=1S/C18H20F2N2O2S.ClH/c1-21-11-5-7-14-12-13-6-2-3-10-17(13)22(25(14,23)24)18-15(19)8-4-9-16(18)20;/h2-4,6,8-10,14,21H,5,7,11-12H2,1H3;1H
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| InChIKey |
AQZJYBPKTZMMER-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