General Information of the Compound
| Compound ID |
CP0785163
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| Compound Name |
N-(9-(3,4-dimethoxyphenyl)-6-(dimethylamino)-3H-thioxanthen-3-ylidene)-N-methylmethanaminium hexafluorophosphate
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| Structure |
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| Formula |
C25H27F6N2O2PS
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| Molecular Weight |
564.532
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| Canonical SMILES |
COc1ccc(-c2c3ccc(=[N+](C)C)cc-3sc3cc(N(C)C)ccc23)cc1OC.F[P-](F)(F)(F)(F)F
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| InChI |
InChI=1S/C25H27N2O2S.F6P/c1-26(2)17-8-10-19-23(14-17)30-24-15-18(27(3)4)9-11-20(24)25(19)16-7-12-21(28-5)22(13-16)29-6;1-7(2,3,4,5)6/h7-15H,1-6H3;/q+1;-1
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| InChIKey |
DEODTGUEIALCPH-UHFFFAOYSA-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