General Information of the Compound
| Compound ID |
CP0078519
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| Compound Name |
4-(2-amino-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide
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| Structure |
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| Formula |
C13H10N6O2S
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| Molecular Weight |
314.33
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| Canonical SMILES |
Nc1nc(-c2ccc(cc2)S(N)(=O)=O)c2c(c[nH]c2n1)C#N
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| InChI |
InChI=1S/C13H10N6O2S/c14-5-8-6-17-12-10(8)11(18-13(15)19-12)7-1-3-9(4-2-7)22(16,20)21/h1-4,6H,(H2,16,20,21)(H3,15,17,18,19)
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| InChIKey |
MPTGZYHKBIOUAJ-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
Protein ID: PT01239, Inhibitor of nuclear factor kappa-B kinase subunit alpha
Protein ID: PT00877, Inhibitor of nuclear factor kappa-B kinase subunit beta