General Information of the Compound
| Compound ID |
CP0237082
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| Compound Name |
N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
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| Structure |
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| Formula |
C13H16N2O3S
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| Molecular Weight |
280.349
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| Canonical SMILES |
C=CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
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| InChI |
InChI=1S/C13H16N2O3S/c1-2-13(16)14-11-5-7-12(8-6-11)19(17,18)15-9-3-4-10-15/h2,5-8H,1,3-4,9-10H2,(H,14,16)
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| InChIKey |
YWRDIVXHYHFOLT-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