General Information of the Compound
| Compound ID |
CP0672163
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| Compound Name |
3-(4-methyl-1,2,3-thiadiazol-5-yl)-4-((1-methyl-4-(pyridin-4-ylmethoxy)-1H-indol-3-yl)methylene)-1H-pyrazol-5(4H)-one
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| Structure |
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| Formula |
C22H18N6O2S
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| Molecular Weight |
430.493
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| Canonical SMILES |
Cc1nnsc1C1=NNC(=O)/C1=C\c1cn(C)c2cccc(OCc3ccncc3)c12
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| InChI |
InChI=1S/C22H18N6O2S/c1-13-21(31-27-24-13)20-16(22(29)26-25-20)10-15-11-28(2)17-4-3-5-18(19(15)17)30-12-14-6-8-23-9-7-14/h3-11H,12H2,1-2H3,(H,26,29)/b16-10-
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| InChIKey |
ZIARJNHBAFJNEJ-YBEGLDIGSA-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