General Information of the Compound
| Compound ID |
CP0886227
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| Compound Name |
4-{N'-[3-Amino-1-(4-tert-butyl-phenyl)-5-oxo-1,5-dihydro-pyrazol-4-ylidene]-hydrazino}-3-hydroxy-naphthalene-1-sulfonic acid
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| Formula |
C23H23N5O5S
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| Molecular Weight |
481.534
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| Canonical SMILES |
CC(C)(C)c1ccc(-n2[nH]c(N)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2=O)cc1
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| InChI |
InChI=1S/C23H23N5O5S/c1-23(2,3)13-8-10-14(11-9-13)28-22(30)20(21(24)27-28)26-25-19-16-7-5-4-6-15(16)18(12-17(19)29)34(31,32)33/h4-12,27,29H,24H2,1-3H3,(H,31,32,33)/b26-25+
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| InChIKey |
SJVWYAVTWVXNDB-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