General Information of the Compound
| Compound ID |
CP0510162
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| Compound Name |
4-bromo-3,5-dimethyl-1-((4-(3-nitrophenyl)thiazol-2-yl)methyl)-1H-pyrazole
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| Structure |
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| Formula |
C15H13BrN4O2S
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| Molecular Weight |
393.266
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| Canonical SMILES |
Cc1nn(Cc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)c(C)c1Br
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| InChI |
InChI=1S/C15H13BrN4O2S/c1-9-15(16)10(2)19(18-9)7-14-17-13(8-23-14)11-4-3-5-12(6-11)20(21)22/h3-6,8H,7H2,1-2H3
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| InChIKey |
BDLSZVUMZCCCHF-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
Protein ID: PT03377, Gamma-aminobutyric acid receptor subunit alpha-1
Protein ID: PT02002, Gamma-aminobutyric acid receptor subunit alpha-5