General Information of the Compound
| Compound ID |
CP0548392
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| Compound Name |
2-[[(E)-3-[4-(3-nitrophenyl)phenyl]prop-2-enoyl]amino]benzoic acid
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| Formula |
C22H16N2O5
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| Molecular Weight |
388.379
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| Canonical SMILES |
OC(=O)c1ccccc1NC(=O)\C=C\c1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C22H16N2O5/c25-21(23-20-7-2-1-6-19(20)22(26)27)13-10-15-8-11-16(12-9-15)17-4-3-5-18(14-17)24(28)29/h1-14H,(H,23,25)(H,26,27)/b13-10+
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| InChIKey |
YXPPMAGFWDUHJF-JLHYYAGUSA-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