General Information of the Compound
| Compound ID |
CP0907683
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| Compound Name |
3-Hydroxy-4-{N'-[1-(4-methanesulfonyl-phenyl)-3-methyl-5-oxo-1,5-dihydro-pyrazol-4-ylidene]-hydrazino}-naphthalene-1-sulfonic acid
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| Formula |
C21H18N4O7S2
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| Molecular Weight |
502.53
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| Canonical SMILES |
Cc1[nH]n(-c2ccc(S(C)(=O)=O)cc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12
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| InChI |
InChI=1S/C21H18N4O7S2/c1-12-19(21(27)25(24-12)13-7-9-14(10-8-13)33(2,28)29)22-23-20-16-6-4-3-5-15(16)18(11-17(20)26)34(30,31)32/h3-11,24,26H,1-2H3,(H,30,31,32)/b23-22+
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| InChIKey |
CUWTVLJPSALHRA-GHVJWSGMSA-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