General Information of the Compound
| Compound ID |
CP0566079
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| Compound Name |
4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide
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| Structure |
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| Formula |
C12H10N4O2S
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| Molecular Weight |
274.305
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| Canonical SMILES |
NS(=O)(=O)c1ccc(cc1)-c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C12H10N4O2S/c13-19(17,18)9-3-1-8(2-4-9)11-10-5-6-14-12(10)16-7-15-11/h1-7H,(H2,13,17,18)(H,14,15,16)
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| InChIKey |
AXFXKEQHDQJNRK-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