General Information of the Compound
| Compound ID |
CP0390632
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| Compound Name |
N-[2-methoxy-5-[5-(6-methyl-7-oxo-5H-pyrrolo[3,4-b]pyridin-3-yl)thiophen-2-yl]pyridin-3-yl]-2-nitrobenzenesulfonamide
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| Structure |
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| Formula |
C24H19N5O6S2
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| Molecular Weight |
537.579
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| Canonical SMILES |
COc1ncc(cc1NS(=O)(=O)c1ccccc1[N+]([O-])=O)-c1ccc(s1)-c1cnc2C(=O)N(C)Cc2c1
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| InChI |
InChI=1S/C24H19N5O6S2/c1-28-13-16-9-14(11-25-22(16)24(28)30)19-7-8-20(36-19)15-10-17(23(35-2)26-12-15)27-37(33,34)21-6-4-3-5-18(21)29(31)32/h3-12,27H,13H2,1-2H3
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| InChIKey |
VQNVBHVDJUZZFW-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