General Information of the Compound
| Compound ID |
CP0188283
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| Compound Name |
4-[4-[(5Z)-2,4-bis(oxidanylidene)-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid
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| Structure |
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| Formula |
C23H20N2O5S
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| Molecular Weight |
436.489
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| Canonical SMILES |
OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C/C=C/c3ccccc3)C2=O)cc1
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| InChI |
InChI=1S/C23H20N2O5S/c26-20(24-18-13-11-17(12-14-18)22(28)29)10-5-15-25-21(27)19(31-23(25)30)9-4-8-16-6-2-1-3-7-16/h1-4,6-9,11-14H,5,10,15H2,(H,24,26)(H,28,29)/b8-4+,19-9-
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| InChIKey |
NMHDSRSSYCCXAU-DURWOYGOSA-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
Protein ID: PT03308, G-protein coupled receptor 35
Protein ID: PT06109, Geminin