General Information of the Compound
| Compound ID |
CP0535334
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| Compound Name |
1-[5-(2,5-difluorophenyl)-1'-methylspiro[1,3,4-thiadiazole-2,4'-2,3-dihydroquinoline]-3-yl]ethanone
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| Structure |
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| Formula |
C19H17F2N3OS
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| Molecular Weight |
373.428
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| Canonical SMILES |
CN1CCC2(SC(=NN2C(C)=O)c2cc(F)ccc2F)c2ccccc12
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| InChI |
InChI=1S/C19H17F2N3OS/c1-12(25)24-19(9-10-23(2)17-6-4-3-5-15(17)19)26-18(22-24)14-11-13(20)7-8-16(14)21/h3-8,11H,9-10H2,1-2H3
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| InChIKey |
RPUYDKPZKMDJFX-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