General Information of the Compound
| Compound ID |
CP0886226
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| Compound Name |
3-Hydroxy-4-[N'-(3-methyl-5-oxo-1-p-tolyl-1,5-dihydro-pyrazol-4-ylidene)-hydrazino]-naphthalene-1-carboxylic acid
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| Formula |
C22H18N4O4
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| Molecular Weight |
402.41
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| Canonical SMILES |
Cc1ccc(-n2[nH]c(C)c(/N=N/c3c(O)cc(C(=O)O)c4ccccc34)c2=O)cc1
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| InChI |
InChI=1S/C22H18N4O4/c1-12-7-9-14(10-8-12)26-21(28)19(13(2)25-26)23-24-20-16-6-4-3-5-15(16)17(22(29)30)11-18(20)27/h3-11,25,27H,1-2H3,(H,29,30)/b24-23+
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| InChIKey |
JBHMARNHYOVYDG-WCWDXBQESA-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