General Information of the Compound
| Compound ID |
CP0845077
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| Compound Name |
4-{N'-[1-(3,4-Dimethyl-phenyl)-3-methyl-5-oxo-1,5-dihydro-pyrazol-4-ylidene]-hydrazino}-3-hydroxy-naphthalene-1-carboxylic acid
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| Formula |
C23H20N4O4
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| Molecular Weight |
416.437
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| Canonical SMILES |
Cc1ccc(-n2[nH]c(C)c(/N=N/c3c(O)cc(C(=O)O)c4ccccc34)c2=O)cc1C
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| InChI |
InChI=1S/C23H20N4O4/c1-12-8-9-15(10-13(12)2)27-22(29)20(14(3)26-27)24-25-21-17-7-5-4-6-16(17)18(23(30)31)11-19(21)28/h4-11,26,28H,1-3H3,(H,30,31)/b25-24+
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| InChIKey |
LURWIRZFUJZCBM-OCOZRVBESA-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