General Information of the Compound
| Compound ID |
CP0431727
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| Compound Name |
2-[2-bromanyl-6-ethoxy-4-[(E)-(4-oxidanylidenechromen-3-ylidene)methyl]phenoxy]-N,N-dimethyl-ethanamide
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| Structure |
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| Formula |
C22H22BrNO5
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| Molecular Weight |
460.324
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| Canonical SMILES |
CCOc1cc(\C=C2/COc3ccccc3C2=O)cc(Br)c1OCC(=O)N(C)C
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| InChI |
InChI=1S/C22H22BrNO5/c1-4-27-19-11-14(10-17(23)22(19)29-13-20(25)24(2)3)9-15-12-28-18-8-6-5-7-16(18)21(15)26/h5-11H,4,12-13H2,1-3H3/b15-9+
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| InChIKey |
HZWCJCLMEFLOGL-OQLLNIDSSA-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: PT06172, Mothers against decapentaplegic homolog 3