General Information of the Compound
| Compound ID |
CP0932567
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| Compound Name |
3-Hydroxy-4-{N'-[3-methyl-5-oxo-1-(4-trifluoromethyl-phenyl)-1,5-dihydro-pyrazol-4-ylidene]-hydrazino}-naphthalene-1-sulfonic acid
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| Formula |
C21H15F3N4O5S
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| Molecular Weight |
492.435
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| Canonical SMILES |
Cc1[nH]n(-c2ccc(C(F)(F)F)cc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12
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| InChI |
InChI=1S/C21H15F3N4O5S/c1-11-18(20(30)28(27-11)13-8-6-12(7-9-13)21(22,23)24)25-26-19-15-5-3-2-4-14(15)17(10-16(19)29)34(31,32)33/h2-10,27,29H,1H3,(H,31,32,33)/b26-25+
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| InChIKey |
QDXDEKNIMZKKKQ-OCEACIFDSA-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