General Information of the Compound
| Compound ID |
CP0550134
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| Compound Name |
N-[2-(2,5-difluorophenoxy)ethyl]-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine;hydrochloride
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| Structure |
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| Formula |
C17H18ClF2NO3S
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| Molecular Weight |
389.851
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| Canonical SMILES |
Cl.Fc1ccc(F)c(OCCNC2CCS(=O)(=O)c3ccccc23)c1
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| InChI |
InChI=1S/C17H17F2NO3S.ClH/c18-12-5-6-14(19)16(11-12)23-9-8-20-15-7-10-24(21,22)17-4-2-1-3-13(15)17;/h1-6,11,15,20H,7-10H2;1H
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| InChIKey |
WAFRPZMDBSXFNT-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