General Information of the Compound
| Compound ID |
CP0433430
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| Compound Name |
1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,5'-3,4-dihydro-2H-1-benzoxepine]-3-yl]ethanone
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| Structure |
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| Formula |
C19H16F2N2O2S
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| Molecular Weight |
374.412
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| Canonical SMILES |
CC(=O)N1N=C(SC11CCCOc2ccccc12)c1cc(F)ccc1F
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| InChI |
InChI=1S/C19H16F2N2O2S/c1-12(24)23-19(9-4-10-25-17-6-3-2-5-15(17)19)26-18(22-23)14-11-13(20)7-8-16(14)21/h2-3,5-8,11H,4,9-10H2,1H3
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| InChIKey |
DZHYRNFVEGLPJQ-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