General Information of the Compound
| Compound ID |
CP0496076
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| Compound Name |
(5Z)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
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| Formula |
C20H23N3OS
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| Molecular Weight |
353.491
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| Canonical SMILES |
CC\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccccc2)C(=O)N1CC
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| InChI |
InChI=1S/C20H23N3OS/c1-5-21-20-22(6-2)19(24)18(25-20)13-16-12-14(3)23(15(16)4)17-10-8-7-9-11-17/h7-13H,5-6H2,1-4H3/b18-13-,21-20-
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| InChIKey |
PDHIOWPNBFJBOP-PQDITWEDSA-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