General Information of the Compound
| Compound ID |
CP0880367
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| Compound Name |
4-{N'-[1-(3-Ethylsulfamoyl-phenyl)-3-methyl-5-oxo-1,5-dihydro-pyrazol-4-ylidene]-hydrazino}-3-hydroxy-naphthalene-1-sulfonic acid
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| Formula |
C22H21N5O7S2
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| Molecular Weight |
531.572
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| Canonical SMILES |
CCNS(=O)(=O)c1cccc(-n2[nH]c(C)c(/N=N/c3c(O)cc(S(=O)(=O)O)c4ccccc34)c2=O)c1
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| InChI |
InChI=1S/C22H21N5O7S2/c1-3-23-35(30,31)15-8-6-7-14(11-15)27-22(29)20(13(2)26-27)24-25-21-17-10-5-4-9-16(17)19(12-18(21)28)36(32,33)34/h4-12,23,26,28H,3H2,1-2H3,(H,32,33,34)/b25-24+
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| InChIKey |
MFRNLCRCUIJYCZ-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