General Information of the Compound
| Compound ID |
CP0204513
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| Compound Name |
(4Z)-4-[[1-methyl-4-(1-phenylethoxy)indol-3-yl]methylidene]-3-(1,3-thiazol-2-yl)-1H-pyrazol-5-one
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| Structure |
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| Formula |
C24H20N4O2S
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| Molecular Weight |
428.517
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| Canonical SMILES |
CC(Oc1cccc2n(C)cc(\C=C3/C(=O)NN=C3c3nccs3)c12)c1ccccc1
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| InChI |
InChI=1S/C24H20N4O2S/c1-15(16-7-4-3-5-8-16)30-20-10-6-9-19-21(20)17(14-28(19)2)13-18-22(26-27-23(18)29)24-25-11-12-31-24/h3-15H,1-2H3,(H,27,29)/b18-13-
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| InChIKey |
JCHXQKZKDRYKCE-AQTBWJFISA-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