General Information of the Compound
| Compound ID |
CP0904585
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| Compound Name |
12-(Dimethylamino)-2,3,6,7-tetrahydro-9-(N-morpholino-2-thienyl-5-thiocarboxamido)-1H,5H-selenoxantheno[2,3,4-ij]quinolizin-14-ium Hexafluorophosphate
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| Structure |
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| Formula |
C30H32F6N3OPS2Se
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| Molecular Weight |
738.662
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| Canonical SMILES |
C[N+](C)=c1ccc2c(-c3ccc(C(=S)N4CCOCC4)s3)c3cc4c5c(c3[se]c-2c1)CCCN5CCC4.F[P-](F)(F)(F)(F)F
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| InChI |
InChI=1S/C30H32N3OS2Se.F6P/c1-31(2)20-7-8-21-26(18-20)37-29-22-6-4-12-32-11-3-5-19(28(22)32)17-23(29)27(21)24-9-10-25(36-24)30(35)33-13-15-34-16-14-33;1-7(2,3,4,5)6/h7-10,17-18H,3-6,11-16H2,1-2H3;/q+1;-1
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| InChIKey |
NEGYIBYUVJZDAO-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