General Information of the Compound
| Compound ID |
CP0447018
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| Compound Name |
4-(2-amino-7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide
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| Structure |
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| Formula |
C12H11N5O2S
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| Molecular Weight |
289.32
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| Canonical SMILES |
Nc1nc(-c2ccc(cc2)S(N)(=O)=O)c2cc[nH]c2n1
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| InChI |
InChI=1S/C12H11N5O2S/c13-12-16-10(9-5-6-15-11(9)17-12)7-1-3-8(4-2-7)20(14,18)19/h1-6H,(H2,14,18,19)(H3,13,15,16,17)
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| InChIKey |
QBMBJIHEDJOOIM-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