General Information of the Compound
| Compound ID |
CP0532154
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| Compound Name |
N-[2-(2,5-difluorophenoxy)ethyl]-5-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.COc1cccc2c1C(CCS2(=O)=O)NCCOc1cc(F)ccc1F
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| InChI |
InChI=1S/C18H19F2NO4S.ClH/c1-24-15-3-2-4-17-18(15)14(7-10-26(17,22)23)21-8-9-25-16-11-12(19)5-6-13(16)20;/h2-6,11,14,21H,7-10H2,1H3;1H
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| InChIKey |
VXCGFRXCCASLLO-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