General Information of the Compound
| Compound ID |
CP0137403
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| Compound Name |
4-bromanyl-2-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]-7-(methylamino)cyclohepta-2,4,6-trien-1-one
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| Structure |
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| Formula |
C19H18BrNO4
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| Molecular Weight |
404.26
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| Canonical SMILES |
CNc1ccc(Br)cc(C(=O)\C=C\c2cc(OC)ccc2OC)c1=O
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| InChI |
InChI=1S/C19H18BrNO4/c1-21-16-7-5-13(20)11-15(19(16)23)17(22)8-4-12-10-14(24-2)6-9-18(12)25-3/h4-11H,1-3H3,(H,21,23)/b8-4+
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| InChIKey |
LMDHMXMMSHLMOX-XBXARRHUSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1
Protein ID: PT06124, Paired box protein Pax-8