General Information of the Compound
| Compound ID |
CP0672164
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| Compound Name |
4-((4-(2-chloro-6-fluorobenzyloxy)-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 |
C23H17ClFN5O2S
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| Molecular Weight |
481.94
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| Canonical SMILES |
Cc1nnsc1C1=NNC(=O)/C1=C\c1cn(C)c2cccc(OCc3c(F)cccc3Cl)c12
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| InChI |
InChI=1S/C23H17ClFN5O2S/c1-12-22(33-29-26-12)21-14(23(31)28-27-21)9-13-10-30(2)18-7-4-8-19(20(13)18)32-11-15-16(24)5-3-6-17(15)25/h3-10H,11H2,1-2H3,(H,28,31)/b14-9-
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| InChIKey |
HQJTZYJSKZBZOP-ZROIWOOFSA-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