General Information of the Compound
| Compound ID |
CP0540611
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| Compound Name |
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-thiazol-4-one
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| Structure |
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| Formula |
C18H24N4O2S
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| Molecular Weight |
360.483
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| Canonical SMILES |
CN(C)c1ccc(\C=C2/SC(=NC2=O)N2CCN(CCO)CC2)cc1
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| InChI |
InChI=1S/C18H24N4O2S/c1-20(2)15-5-3-14(4-6-15)13-16-17(24)19-18(25-16)22-9-7-21(8-10-22)11-12-23/h3-6,13,23H,7-12H2,1-2H3/b16-13-
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| InChIKey |
NHVKSDMVCUUQNU-SSZFMOIBSA-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