General Information of the Compound
| Compound ID |
CP0947403
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| Compound Name |
3-Hydroxy-4-[N'-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-pyrazol-4-ylidene)-hydrazino]-naphthalene-1-sulfonic acid
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| Formula |
C20H16N4O5S
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| Molecular Weight |
424.438
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| Canonical SMILES |
Cc1[nH]n(-c2ccccc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12
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| InChI |
InChI=1S/C20H16N4O5S/c1-12-18(20(26)24(23-12)13-7-3-2-4-8-13)21-22-19-15-10-6-5-9-14(15)17(11-16(19)25)30(27,28)29/h2-11,23,25H,1H3,(H,27,28,29)/b22-21+
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| InChIKey |
XZXCWRSZJMLMQQ-QURGRASLSA-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