General Information of the Compound
| Compound ID |
CP0434925
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| Compound Name |
2-[1-[1-(4-methoxy-2-methylphenyl)-6-methylpyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-1,3-thiazole
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| Structure |
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| Formula |
C22H19N5OS
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| Molecular Weight |
401.495
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| Canonical SMILES |
COc1ccc(c(C)c1)-n1ccc2c(cc(C)nc12)-n1ccc(n1)-c1nccs1
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| InChI |
InChI=1S/C22H19N5OS/c1-14-12-16(28-3)4-5-19(14)26-9-6-17-20(13-15(2)24-21(17)26)27-10-7-18(25-27)22-23-8-11-29-22/h4-13H,1-3H3
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| InChIKey |
WEIVYTPGBWNIDY-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