General Information of the Compound
| Compound ID |
CP0847172
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| Compound Name |
4-{N'-[1-(4-tert-Butyl-phenyl)-3-methyl-5-oxo-1,5-dihydro-pyrazol-4-ylidene]-hydrazino}-3-hydroxy-naphthalene-1-sulfonic acid
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| Formula |
C24H24N4O5S
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| Molecular Weight |
480.546
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| Canonical SMILES |
Cc1[nH]n(-c2ccc(C(C)(C)C)cc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12
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| InChI |
InChI=1S/C24H24N4O5S/c1-14-21(23(30)28(27-14)16-11-9-15(10-12-16)24(2,3)4)25-26-22-18-8-6-5-7-17(18)20(13-19(22)29)34(31,32)33/h5-13,27,29H,1-4H3,(H,31,32,33)/b26-25+
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| InChIKey |
QKGAMFPCEGTHIJ-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