General Information of the Compound
| Compound ID |
CP0645613
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| Compound Name |
4-((4-ethoxy-1-methyl-1H-indol-3-yl)methylene)-3-(4-methyl-1,2,3-thiadiazol-5-yl)-1H-pyrazol-5(4H)-one
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| Structure |
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| Formula |
C18H17N5O2S
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| Molecular Weight |
367.434
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| Canonical SMILES |
CCOc1cccc2c1c(/C=C1\C(=O)NN=C1c1snnc1C)cn2C
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| InChI |
InChI=1S/C18H17N5O2S/c1-4-25-14-7-5-6-13-15(14)11(9-23(13)3)8-12-16(20-21-18(12)24)17-10(2)19-22-26-17/h5-9H,4H2,1-3H3,(H,21,24)/b12-8-
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| InChIKey |
HELZIKAUHCHWMC-WQLSENKSSA-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