General Information of the Compound
| Compound ID |
CP0391053
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| Compound Name |
(5Z)-5-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-(2-hydroxyethylimino)-3-methyl-1,3-thiazolidin-4-one
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| Formula |
C20H23N3O2S
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| Molecular Weight |
369.49
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| Canonical SMILES |
CN1C(=O)\C(S\C1=N/CCO)=C\c1cc(C)n(Cc2ccccc2)c1C
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| InChI |
InChI=1S/C20H23N3O2S/c1-14-11-17(15(2)23(14)13-16-7-5-4-6-8-16)12-18-19(25)22(3)20(26-18)21-9-10-24/h4-8,11-12,24H,9-10,13H2,1-3H3/b18-12-,21-20-
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| InChIKey |
CFBBFQPKYTUYMK-RTPYTOBHSA-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