General Information of the Compound
| Compound ID |
CP0674786
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| Compound Name |
N-(9-(2-carboxythiophen-3-yl)-6-(dimethylamino)-3H-selenoxanthen-3-ylidene)-N-methylmethanaminium hexafluorophosphate
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| Structure |
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| Formula |
C22H21F6N2O2PSSe
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| Molecular Weight |
601.411
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| Canonical SMILES |
CN(C)c1ccc2c(-c3ccsc3C(=O)O)c3ccc(=[N+](C)C)cc-3[se]c2c1.F[P-](F)(F)(F)(F)F
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| InChI |
InChI=1S/C22H20N2O2SSe.F6P/c1-23(2)13-5-7-15-18(11-13)28-19-12-14(24(3)4)6-8-16(19)20(15)17-9-10-27-21(17)22(25)26;1-7(2,3,4,5)6/h5-12H,1-4H3;/q;-1/p+1
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| InChIKey |
BBVBHSMUCSDFRP-UHFFFAOYSA-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