General Information of the Compound
| Compound ID |
CP0576317
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| Compound Name |
2,4-difluoro-N-[5-[5-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)thiophen-2-yl]pyridin-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C22H14F2N4O3S2
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| Molecular Weight |
484.509
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| Canonical SMILES |
Fc1ccc(c(F)c1)S(=O)(=O)Nc1cncc(c1)-c1ccc(s1)-c1cnc2C(=O)NCc2c1
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| InChI |
InChI=1S/C22H14F2N4O3S2/c23-15-1-4-20(17(24)7-15)33(30,31)28-16-6-13(8-25-11-16)19-3-2-18(32-19)12-5-14-10-27-22(29)21(14)26-9-12/h1-9,11,28H,10H2,(H,27,29)
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| InChIKey |
UYTNSBVKZZCEBF-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