General Information of the Compound
| Compound ID |
CP0734367
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| Compound Name |
4-((4-(benzyloxy)-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 |
C23H19N5O2S
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| Molecular Weight |
429.505
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| Canonical SMILES |
Cc1nnsc1C1=NNC(=O)/C1=C\c1cn(C)c2cccc(OCc3ccccc3)c12
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| InChI |
InChI=1S/C23H19N5O2S/c1-14-22(31-27-24-14)21-17(23(29)26-25-21)11-16-12-28(2)18-9-6-10-19(20(16)18)30-13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3,(H,26,29)/b17-11-
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| InChIKey |
CJDIETIPXQZFNG-BOPFTXTBSA-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