General Information of the Compound
| Compound ID |
CP0514296
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| Compound Name |
(+/-) Propane-2-sulfonic acid [2-(4-nitro-phenyl)-cyclopentyl]-amide
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| Structure |
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| Formula |
C14H20N2O4S
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| Molecular Weight |
312.391
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| Canonical SMILES |
CC(C)S(=O)(=O)N[C@@H]1CCC[C@@H]1c1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C14H20N2O4S/c1-10(2)21(19,20)15-14-5-3-4-13(14)11-6-8-12(9-7-11)16(17)18/h6-10,13-15H,3-5H2,1-2H3/t13-,14-/m1/s1
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| InChIKey |
UAUGXTSXZYQOLS-ZIAGYGMSSA-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