General Information of the Compound
| Compound ID |
CP0439681
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| Compound Name |
2-[1-[1-[2-(difluoromethyl)-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 |
C21H17F2N5OS
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| Molecular Weight |
425.464
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| Canonical SMILES |
COc1ccc(N2CCc3c2nccc3-n2ccc(n2)-c2nccs2)c(c1)C(F)F
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| InChI |
InChI=1S/C21H17F2N5OS/c1-29-13-2-3-17(15(12-13)19(22)23)27-9-5-14-18(4-7-24-20(14)27)28-10-6-16(26-28)21-25-8-11-30-21/h2-4,6-8,10-12,19H,5,9H2,1H3
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| InChIKey |
ZBVHAUOJYMRZHW-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