General Information of the Compound
| Compound ID |
CP0570400
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| Compound Name |
2-hydroxy-5-[(Z)-[3-(2-methylphenyl)-4-oxo-2-propylimino-1,3-thiazolidin-5-ylidene]methyl]benzonitrile
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| Formula |
C21H19N3O2S
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| Molecular Weight |
377.469
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| Canonical SMILES |
CCC\N=C1/S\C(=C/c2ccc(O)c(c2)C#N)C(=O)N1c1ccccc1C
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| InChI |
InChI=1S/C21H19N3O2S/c1-3-10-23-21-24(17-7-5-4-6-14(17)2)20(26)19(27-21)12-15-8-9-18(25)16(11-15)13-22/h4-9,11-12,25H,3,10H2,1-2H3/b19-12-,23-21-
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| InChIKey |
UIUJNTPNZJHWIY-RINAVELBSA-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