General Information of the Compound
| Compound ID |
CP0666414
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| Compound Name |
N-(6-(dimethylamino)-9-(3-phenoxypropyl)-3H-thioxanthen-3-ylidene)-N-methylmethanaminium hexafluorophosphate (V)
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| Structure |
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| Formula |
C26H29F6N2OPS
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| Molecular Weight |
562.56
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| Canonical SMILES |
CN(C)c1ccc2c(CCCOc3ccccc3)c3ccc(=[N+](C)C)cc-3sc2c1.F[P-](F)(F)(F)(F)F
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| InChI |
InChI=1S/C26H29N2OS.F6P/c1-27(2)19-12-14-23-22(11-8-16-29-21-9-6-5-7-10-21)24-15-13-20(28(3)4)18-26(24)30-25(23)17-19;1-7(2,3,4,5)6/h5-7,9-10,12-15,17-18H,8,11,16H2,1-4H3;/q+1;-1
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| InChIKey |
ALQJRUBLRSHPJG-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