General Information of the Compound
| Compound ID |
CP0666705
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| Compound Name |
N-(6-(dimethylamino)-9-(4-morpholinophenyl)-3H-selenoxanthen-3-ylidene)-N-methylmethanaminium hexafluorophosphate
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| Structure |
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| Formula |
C27H30F6N3OPSe
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| Molecular Weight |
636.479
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| Canonical SMILES |
CN(C)c1ccc2c(-c3ccc(N4CCOCC4)cc3)c3ccc(=[N+](C)C)cc-3[se]c2c1.F[P-](F)(F)(F)(F)F
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| InChI |
InChI=1S/C27H30N3OSe.F6P/c1-28(2)21-9-11-23-25(17-21)32-26-18-22(29(3)4)10-12-24(26)27(23)19-5-7-20(8-6-19)30-13-15-31-16-14-30;1-7(2,3,4,5)6/h5-12,17-18H,13-16H2,1-4H3;/q+1;-1
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| InChIKey |
DZSAYWOFRWVADY-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