General Information of the Compound
| Compound ID |
CP0559286
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| Compound Name |
1-[3-acetyl-5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydroquinoline]-1'-yl]ethanone
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| Structure |
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| Formula |
C20H17F2N3O2S
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| Molecular Weight |
401.438
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| Canonical SMILES |
CC(=O)N1N=C(SC11CCN(C(C)=O)c2ccccc12)c1cc(F)ccc1F
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| InChI |
InChI=1S/C20H17F2N3O2S/c1-12(26)24-10-9-20(16-5-3-4-6-18(16)24)25(13(2)27)23-19(28-20)15-11-14(21)7-8-17(15)22/h3-8,11H,9-10H2,1-2H3
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| InChIKey |
KLSJYXRHPFHDGE-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