General Information of the Compound
| Compound ID |
CP0196842
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| Compound Name |
3-[3-Carbamoyl-5-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanylmethyl)-phenyl]-acrylic acid ethyl ester
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| Structure |
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| Formula |
C20H18N4O4S
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| Molecular Weight |
410.455
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| Canonical SMILES |
CCOC(=O)\C=C\c1cc(CSc2nnc(o2)-c2ccccn2)cc(c1)C(N)=O
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| InChI |
InChI=1S/C20H18N4O4S/c1-2-27-17(25)7-6-13-9-14(11-15(10-13)18(21)26)12-29-20-24-23-19(28-20)16-5-3-4-8-22-16/h3-11H,2,12H2,1H3,(H2,21,26)/b7-6+
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| InChIKey |
JKQHPXKAEIXZPU-VOTSOKGWSA-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