General Information of the Compound
| Compound ID |
CP0429301
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| Compound Name |
N-[2-(2,5-difluorophenoxy)ethyl]-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine;hydrochloride
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| Structure |
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| Formula |
C17H17ClF3NO3S
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| Molecular Weight |
407.841
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| Canonical SMILES |
Cl.Fc1ccc(F)c(OCCNC2CCS(=O)(=O)c3ccc(F)cc23)c1
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| InChI |
InChI=1S/C17H16F3NO3S.ClH/c18-11-2-4-17-13(9-11)15(5-8-25(17,22)23)21-6-7-24-16-10-12(19)1-3-14(16)20;/h1-4,9-10,15,21H,5-8H2;1H
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| InChIKey |
PDBDMHJMLRABLU-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