General Information of the Compound
| Compound ID |
CP0418925
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| Compound Name |
5-bromo-2-[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]benzoic acid
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| Formula |
C22H16BrNO3
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| Molecular Weight |
422.278
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| Canonical SMILES |
OC(=O)c1cc(Br)ccc1NC(=O)\C=C\c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C22H16BrNO3/c23-18-11-12-20(19(14-18)22(26)27)24-21(25)13-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h1-14H,(H,24,25)(H,26,27)/b13-8+
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| InChIKey |
CTKFEGDJHCPIKY-MDWZMJQESA-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