General Information of the Compound
| Compound ID |
CP0440488
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| Compound Name |
4-[(Z)-[3-(2-methylphenyl)-4-oxo-2-propylimino-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
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| Formula |
C21H20N2O3S
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| Molecular Weight |
380.469
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| Canonical SMILES |
CCC\N=C1/S\C(=C/c2ccc(cc2)C(O)=O)C(=O)N1c1ccccc1C
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| InChI |
InChI=1S/C21H20N2O3S/c1-3-12-22-21-23(17-7-5-4-6-14(17)2)19(24)18(27-21)13-15-8-10-16(11-9-15)20(25)26/h4-11,13H,3,12H2,1-2H3,(H,25,26)/b18-13-,22-21-
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| InChIKey |
LXNIUEMUEWFLDR-WJACMBERSA-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