General Information of the Compound
| Compound ID |
CP0525126
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| Compound Name |
1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]-2-hydroxyethanone
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| Structure |
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| Formula |
C18H14F2N2O3S
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| Molecular Weight |
376.384
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| Canonical SMILES |
OCC(=O)N1N=C(SC11CCOc2ccccc12)c1cc(F)ccc1F
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| InChI |
InChI=1S/C18H14F2N2O3S/c19-11-5-6-14(20)12(9-11)17-21-22(16(24)10-23)18(26-17)7-8-25-15-4-2-1-3-13(15)18/h1-6,9,23H,7-8,10H2
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| InChIKey |
RPYBHCBNJHSWTL-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