General Information of the Compound
| Compound ID |
CP0869568
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| Compound Name |
3-Hydroxy-4-[N'-(3-methyl-5-oxo-1-m-tolyl-1,5-dihydro-pyrazol-4-ylidene)-hydrazino]-naphthalene-1-sulfonic acid
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| Formula |
C21H18N4O5S
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| Molecular Weight |
438.465
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| Canonical SMILES |
Cc1cccc(-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/C21H18N4O5S/c1-12-6-5-7-14(10-12)25-21(27)19(13(2)24-25)22-23-20-16-9-4-3-8-15(16)18(11-17(20)26)31(28,29)30/h3-11,24,26H,1-2H3,(H,28,29,30)/b23-22+
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| InChIKey |
IECXFDOOFASWHA-GHVJWSGMSA-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