General Information of the Compound
| Compound ID |
CP0457772
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| Compound Name |
methyl 4-[(Z)-[3-(2-methylphenyl)-4-oxo-2-propylimino-1,3-thiazolidin-5-ylidene]methyl]benzoate
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| Formula |
C22H22N2O3S
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| Molecular Weight |
394.496
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| Canonical SMILES |
CCC\N=C1/S\C(=C/c2ccc(cc2)C(=O)OC)C(=O)N1c1ccccc1C
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| InChI |
InChI=1S/C22H22N2O3S/c1-4-13-23-22-24(18-8-6-5-7-15(18)2)20(25)19(28-22)14-16-9-11-17(12-10-16)21(26)27-3/h5-12,14H,4,13H2,1-3H3/b19-14-,23-22-
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| InChIKey |
LKCUYLXBYQBKFP-OFPPLWLTSA-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