General Information of the Compound
| Compound ID |
CP0556623
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| Compound Name |
2-nitro-N-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]benzenesulfonamide
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| Structure |
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| Formula |
C22H22N4O4S
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| Molecular Weight |
438.509
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| Canonical SMILES |
[O-][N+](=O)c1ccccc1S(=O)(=O)NCCNC\C=C\c1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C22H22N4O4S/c27-26(28)21-7-1-2-8-22(21)31(29,30)25-16-15-23-13-3-5-18-9-11-19(12-10-18)20-6-4-14-24-17-20/h1-12,14,17,23,25H,13,15-16H2/b5-3+
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| InChIKey |
SVFOWKVYWXWOPH-HWKANZROSA-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