General Information of the Compound
| Compound ID |
CP0820049
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| Compound Name |
Dimethyl-(8-phenyl-2,3,5,6-tetrahydro-1H,4H-13-selena-3a-aza-benzo[de]naphthacen-11-ylidene)-ammonium hexafluoro phosphate
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| Structure |
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| Formula |
C27H27F6N2PSe
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| Molecular Weight |
603.449
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| Canonical SMILES |
C[N+](C)=c1ccc2c(-c3ccccc3)c3cc4c5c(c3[se]c-2c1)CCCN5CCC4.F[P-](F)(F)(F)(F)F
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| InChI |
InChI=1S/C27H27N2Se.F6P/c1-28(2)20-12-13-21-24(17-20)30-27-22-11-7-15-29-14-6-10-19(26(22)29)16-23(27)25(21)18-8-4-3-5-9-18;1-7(2,3,4,5)6/h3-5,8-9,12-13,16-17H,6-7,10-11,14-15H2,1-2H3;/q+1;-1
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| InChIKey |
PRBLWUOKOUWPIK-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