General Information of the Compound
| Compound ID |
CP0918913
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| Compound Name |
4-{N'-[1-(3,4-Dimethyl-phenyl)-3-ethoxy-5-oxo-1,5-dihydro-pyrazol-4-ylidene]-hydrazino}-3-hydroxy-naphthalene-1-sulfonic acid
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| Formula |
C23H22N4O6S
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| Molecular Weight |
482.518
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| Canonical SMILES |
CCOc1nn(-c2ccc(C)c(C)c2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12
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| InChI |
InChI=1S/C23H22N4O6S/c1-4-33-22-21(23(29)27(26-22)15-10-9-13(2)14(3)11-15)25-24-20-17-8-6-5-7-16(17)19(12-18(20)28)34(30,31)32/h5-12,28-29H,4H2,1-3H3,(H,30,31,32)/b25-24+
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| InChIKey |
AZJLPOMBLDBEII-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