General Information of the Compound
| Compound ID |
CP0550132
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| Compound Name |
4-[2-(2,5-difluorophenoxy)ethylamino]-1,1-dioxo-3,4-dihydro-2H-thiochromene-6-carboxamide;hydrochloride
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| Structure |
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| Formula |
C18H19ClF2N2O4S
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| Molecular Weight |
432.876
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| Canonical SMILES |
Cl.NC(=O)c1ccc2c(c1)C(CCS2(=O)=O)NCCOc1cc(F)ccc1F
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| InChI |
InChI=1S/C18H18F2N2O4S.ClH/c19-12-2-3-14(20)16(10-12)26-7-6-22-15-5-8-27(24,25)17-4-1-11(18(21)23)9-13(15)17;/h1-4,9-10,15,22H,5-8H2,(H2,21,23);1H
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| InChIKey |
JWFVVZAJHADOTO-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