General Information of the Compound
| Compound ID |
CP0771878
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| Compound Name |
4-Butylcarbamoyl-benzenesulfonic acid 4-(2-nitro-vinyl)-phenyl ester
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| Structure |
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| Formula |
C19H20N2O6S
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| Molecular Weight |
404.444
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| Canonical SMILES |
CCCCNC(=O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1
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| InChI |
InChI=1S/C19H20N2O6S/c1-2-3-13-20-19(22)16-6-10-18(11-7-16)28(25,26)27-17-8-4-15(5-9-17)12-14-21(23)24/h4-12,14H,2-3,13H2,1H3,(H,20,22)/b14-12+
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| InChIKey |
IYYHYDARBKIAKE-WYMLVPIESA-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