General Information of the Compound
| Compound ID |
CP0052246
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| Compound Name |
4-methoxy-3-[[3-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]benzonitrile
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| Structure |
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| Formula |
C17H13N7OS
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| Molecular Weight |
363.406
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| Canonical SMILES |
COc1ccc(cc1Sc1ccc2nnc(-c3cnn(C)c3)n2n1)C#N
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| InChI |
InChI=1S/C17H13N7OS/c1-23-10-12(9-19-23)17-21-20-15-5-6-16(22-24(15)17)26-14-7-11(8-18)3-4-13(14)25-2/h3-7,9-10H,1-2H3
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| InChIKey |
DAZZIOGSINHESK-UHFFFAOYSA-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