General Information of the Compound
| Compound ID |
CP0345989
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| Compound Name |
2-hydroxy-4-[[1-oxo-4-[(5Z)-4-oxo-5-(phenylmethylene)-2-sulfanylidene-3-thiazolidinyl]butyl]amino]benzoic acid
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| Structure |
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| Formula |
C21H18N2O5S2
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| Molecular Weight |
442.518
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| Canonical SMILES |
OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1O
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| InChI |
InChI=1S/C21H18N2O5S2/c24-16-12-14(8-9-15(16)20(27)28)22-18(25)7-4-10-23-19(26)17(30-21(23)29)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12,24H,4,7,10H2,(H,22,25)(H,27,28)/b17-11-
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| InChIKey |
OSZBSJXLNJYIRY-BOPFTXTBSA-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