General Information of the Compound
| Compound ID |
CP0457112
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| Compound Name |
(5Z)-5-[[4-[2-(1,3-benzothiazol-2-ylamino)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C19H15N3O3S2
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| Molecular Weight |
397.481
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| Canonical SMILES |
O=C1NC(=O)\C(S1)=C\c1ccc(OCCNc2nc3ccccc3s2)cc1
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| InChI |
InChI=1S/C19H15N3O3S2/c23-17-16(27-19(24)22-17)11-12-5-7-13(8-6-12)25-10-9-20-18-21-14-3-1-2-4-15(14)26-18/h1-8,11H,9-10H2,(H,20,21)(H,22,23,24)/b16-11-
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| InChIKey |
WSMOTVLPHXFLIL-WJDWOHSUSA-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