General Information of the Compound
| Compound ID |
CP0470540
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| Compound Name |
4-(5-cyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide
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| Structure |
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| Formula |
C13H9N5O2S
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| Molecular Weight |
299.315
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| Canonical SMILES |
NS(=O)(=O)c1ccc(cc1)-c1ncnc2[nH]cc(C#N)c12
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| InChI |
InChI=1S/C13H9N5O2S/c14-5-9-6-16-13-11(9)12(17-7-18-13)8-1-3-10(4-2-8)21(15,19)20/h1-4,6-7H,(H2,15,19,20)(H,16,17,18)
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| InChIKey |
CQOCFGLUWJKVAQ-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