General Information of the Compound
| Compound ID |
CP0476299
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| Compound Name |
N-[5-[5-(6-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-3-yl)thiophen-2-yl]pyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C24H17F3N4O3S2
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| Molecular Weight |
530.553
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| Canonical SMILES |
CN1Cc2cc(cnc2C1=O)-c1ccc(s1)-c1cncc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1
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| InChI |
InChI=1S/C24H17F3N4O3S2/c1-31-13-16-8-14(11-29-22(16)23(31)32)19-6-7-20(35-19)15-9-17(12-28-10-15)30-36(33,34)21-5-3-2-4-18(21)24(25,26)27/h2-12,30H,13H2,1H3
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| InChIKey |
DPVNAXKVMPQQOT-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