General Information of the Compound
| Compound ID |
CP0562185
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| Compound Name |
3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-N-[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]propanamide
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| Structure |
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| Formula |
C25H23F3N4O3S
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| Molecular Weight |
516.545
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)S(=O)(=O)NCCNC(=O)CCc1ccc(cc1)-c1cnc2[nH]ccc2c1
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| InChI |
InChI=1S/C25H23F3N4O3S/c26-25(27,28)21-2-1-3-22(15-21)36(34,35)32-13-12-29-23(33)9-6-17-4-7-18(8-5-17)20-14-19-10-11-30-24(19)31-16-20/h1-5,7-8,10-11,14-16,32H,6,9,12-13H2,(H,29,33)(H,30,31)
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| InChIKey |
UXXTWZUOKYKICY-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