General Information of the Compound
| Compound ID |
CP0304685
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| Compound Name |
4-[4-[(5Z)-4-keto-5-m-anisylidene-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid
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| Structure |
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| Formula |
C22H20N2O5S2
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| Molecular Weight |
456.545
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| Canonical SMILES |
COc1cccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)c1
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| InChI |
InChI=1S/C22H20N2O5S2/c1-29-17-5-2-4-14(12-17)13-18-20(26)24(22(30)31-18)11-3-6-19(25)23-16-9-7-15(8-10-16)21(27)28/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,23,25)(H,27,28)/b18-13-
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| InChIKey |
LABBEOKSKNCITN-AQTBWJFISA-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