General Information of the Compound
| Compound ID |
CP0462185
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| Compound Name |
1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,3'-2H-1-benzofuran]-3-yl]ethanone
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| Structure |
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| Formula |
C17H12F2N2O2S
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| Molecular Weight |
346.358
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| Canonical SMILES |
CC(=O)N1N=C(SC11COc2ccccc12)c1cc(F)ccc1F
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| InChI |
InChI=1S/C17H12F2N2O2S/c1-10(22)21-17(9-23-15-5-3-2-4-13(15)17)24-16(20-21)12-8-11(18)6-7-14(12)19/h2-8H,9H2,1H3
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| InChIKey |
FPYBALUTWMBHCO-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