General Information of the Compound
| Compound ID |
CP0789647
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| Compound Name |
N-(6-(dimethylamino)-9-(3-methoxyphenyl)-3H-selenoxanthen-3-ylidene)-N-methylmethanaminium bromide
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| Structure |
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| Formula |
C24H25BrN2OSe
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| Molecular Weight |
516.341
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| Canonical SMILES |
COc1cccc(-c2c3ccc(=[N+](C)C)cc-3[se]c3cc(N(C)C)ccc23)c1.[Br-]
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| InChI |
InChI=1S/C24H25N2OSe.BrH/c1-25(2)17-9-11-20-22(14-17)28-23-15-18(26(3)4)10-12-21(23)24(20)16-7-6-8-19(13-16)27-5;/h6-15H,1-5H3;1H/q+1;/p-1
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| InChIKey |
MWYTXZMSKOMNFT-UHFFFAOYSA-M
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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