General Information of the Compound
| Compound ID |
CP0926802
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| Compound Name |
4-{N'-[1-(4-Benzyloxy-phenyl)-3-methyl-5-oxo-1,5-dihydro-pyrazol-4-ylidene]-hydrazino}-3-hydroxy-naphthalene-1-sulfonic acid
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| Formula |
C27H22N4O6S
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| Molecular Weight |
530.562
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| Canonical SMILES |
Cc1[nH]n(-c2ccc(OCc3ccccc3)cc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12
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| InChI |
InChI=1S/C27H22N4O6S/c1-17-25(28-29-26-22-10-6-5-9-21(22)24(15-23(26)32)38(34,35)36)27(33)31(30-17)19-11-13-20(14-12-19)37-16-18-7-3-2-4-8-18/h2-15,30,32H,16H2,1H3,(H,34,35,36)/b29-28+
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| InChIKey |
PXAADFPDTFPFQX-ZQHSETAFSA-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