General Information of the Compound
| Compound ID |
CP0457877
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| Compound Name |
N-(2-hydroxyethyl)-4-[(Z)-[3-(2-methylphenyl)-4-oxo-2-propylimino-1,3-thiazolidin-5-ylidene]methyl]benzamide
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| Formula |
C23H25N3O3S
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| Molecular Weight |
423.538
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| Canonical SMILES |
CCC\N=C1/S\C(=C/c2ccc(cc2)C(=O)NCCO)C(=O)N1c1ccccc1C
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| InChI |
InChI=1S/C23H25N3O3S/c1-3-12-25-23-26(19-7-5-4-6-16(19)2)22(29)20(30-23)15-17-8-10-18(11-9-17)21(28)24-13-14-27/h4-11,15,27H,3,12-14H2,1-2H3,(H,24,28)/b20-15-,25-23-
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| InChIKey |
PIULYJSLXGVFRC-JUPUPRTNSA-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