General Information of the Compound
| Compound ID |
CP0550891
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| Compound Name |
N-[2-(2,5-difluorophenoxy)ethyl]-7-methoxy-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine;hydrochloride
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| Structure |
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| Formula |
C18H20ClF2NO4S
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| Molecular Weight |
419.877
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| Canonical SMILES |
Cl.COc1ccc2C(CCS(=O)(=O)c2c1)NCCOc1cc(F)ccc1F
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| InChI |
InChI=1S/C18H19F2NO4S.ClH/c1-24-13-3-4-14-16(6-9-26(22,23)18(14)11-13)21-7-8-25-17-10-12(19)2-5-15(17)20;/h2-5,10-11,16,21H,6-9H2,1H3;1H
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| InChIKey |
RJBMDLLYHGJSET-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