General Information of the Compound
| Compound ID |
CP0924841
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| Compound Name |
1-(2-(4-((E)-3-(2-((E)-2-Carboxyvinyl)phenyl)allyl)-2-methoxyphenoxy)ethyl)-4-(4-(dimethylamino)styryl)-2,6-dimethylpyridinium borontetrafluoride
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| Structure |
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| Formula |
C38H41BF4N2O4
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| Molecular Weight |
676.56
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| Canonical SMILES |
COc1cc(C/C=C/c2ccccc2/C=C/C(=O)O)ccc1OCC[n+]1c(C)cc(/C=C/c2ccc(N(C)C)cc2)cc1C.F[B-](F)(F)F
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| InChI |
InChI=1S/C38H40N2O4.BF4/c1-28-25-32(14-13-30-15-19-35(20-16-30)39(3)4)26-29(2)40(28)23-24-44-36-21-17-31(27-37(36)43-5)9-8-12-33-10-6-7-11-34(33)18-22-38(41)42;2-1(3,4)5/h6-8,10-22,25-27H,9,23-24H2,1-5H3;/q;-1/p+1/b12-8+,22-18+;
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| InChIKey |
HFBBALWRPYSGKC-GFBYSEAUSA-O
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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