General Information of the Compound
| Compound ID |
CP0156414
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| Compound Name |
3-(dimethylamino)propyl N-[3-[[5-(3,5-difluorophenyl)-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]phenyl]carbamate
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| Structure |
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| Formula |
C22H24F2N4O3S
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| Molecular Weight |
462.522
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| Canonical SMILES |
CN(C)CCCOC(=O)Nc1cccc(CN2N=C(CSC2=O)c2cc(F)cc(F)c2)c1
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| InChI |
InChI=1S/C22H24F2N4O3S/c1-27(2)7-4-8-31-21(29)25-19-6-3-5-15(9-19)13-28-22(30)32-14-20(26-28)16-10-17(23)12-18(24)11-16/h3,5-6,9-12H,4,7-8,13-14H2,1-2H3,(H,25,29)
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| InChIKey |
YENMFPGGDSCGGT-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