General Information of the Compound
| Compound ID |
CP0524337
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| Compound Name |
2-[1-[1-(4-methoxyphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
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| Structure |
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| Formula |
C20H17N5OS
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| Molecular Weight |
375.457
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| Canonical SMILES |
COc1ccc(cc1)N1CCc2c1nccc2-n1ccc(n1)-c1nccs1
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| InChI |
InChI=1S/C20H17N5OS/c1-26-15-4-2-14(3-5-15)24-11-7-16-18(6-9-21-19(16)24)25-12-8-17(23-25)20-22-10-13-27-20/h2-6,8-10,12-13H,7,11H2,1H3
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| InChIKey |
FLOCCEQFMKRAGJ-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