General Information of the Compound
| Compound ID |
CP0927507
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| Compound Name |
1-(2-(3,5-bis(trifluoromethyl)benzyloxy)-5-bromobenzyl)-5-methyl-1H-pyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C21H15BrF6N2O3
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| Molecular Weight |
537.254
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| Canonical SMILES |
Cc1cc(C(=O)O)nn1Cc1cc(Br)ccc1OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
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| InChI |
InChI=1S/C21H15BrF6N2O3/c1-11-4-17(19(31)32)29-30(11)9-13-7-16(22)2-3-18(13)33-10-12-5-14(20(23,24)25)8-15(6-12)21(26,27)28/h2-8H,9-10H2,1H3,(H,31,32)
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| InChIKey |
ZUMUOUAXROXUAT-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