General Information of the Compound
| Compound ID |
CP0458231
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| Compound Name |
[4-[(2,6-difluorophenyl)diazenyl]-3,5-difluorophenyl]methyl-[4-(4,5-dihydro-1,2-oxazol-3-yloxy)but-2-ynyl]-dimethylazanium;bromide
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| Formula |
C22H21BrF4N4O2
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| Molecular Weight |
529.332
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| Canonical SMILES |
[Br-].C[N+](C)(CC#CCOC1=NOCC1)Cc1cc(F)c(\N=N/c2c(F)cccc2F)c(F)c1
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| InChI |
InChI=1S/C22H21F4N4O2.BrH/c1-30(2,9-3-4-10-31-20-8-11-32-29-20)14-15-12-18(25)22(19(26)13-15)28-27-21-16(23)6-5-7-17(21)24;/h5-7,12-13H,8-11,14H2,1-2H3;1H/q+1;/p-1/b28-27-;
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| InChIKey |
WIWMAJHDFKOHBB-LXCLTORNSA-M
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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