General Information of the Compound
| Compound ID |
CP0501060
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| Compound Name |
2-[1-[1-[2-methyl-4-(trifluoromethoxy)phenyl]-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 |
C21H16F3N5OS
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| Molecular Weight |
443.454
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| Canonical SMILES |
Cc1cc(OC(F)(F)F)ccc1N1CCc2c1nccc2-n1ccc(n1)-c1nccs1
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| InChI |
InChI=1S/C21H16F3N5OS/c1-13-12-14(30-21(22,23)24)2-3-17(13)28-9-5-15-18(4-7-25-19(15)28)29-10-6-16(27-29)20-26-8-11-31-20/h2-4,6-8,10-12H,5,9H2,1H3
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| InChIKey |
FIUZUYYVNFIDRD-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