General Information of the Compound
| Compound ID |
CP0852095
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| Compound Name |
12-(Dimethylamino)-2,3,6,7-tetrahydro-9-(4-N,N-dimethylaminophenyl)-1H,5Hselenoxantheno[2,3,4-ij]quinolizin-14-ium Hexafluorophosphate
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| Structure |
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| Formula |
C29H32BrN3Se
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| Molecular Weight |
581.46
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| Canonical SMILES |
CN(C)c1ccc(-c2c3ccc(=[N+](C)C)cc-3[se]c3c4c5c(cc23)CCCN5CCC4)cc1.[Br-]
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| InChI |
InChI=1S/C29H32N3Se.BrH/c1-30(2)21-11-9-19(10-12-21)27-23-14-13-22(31(3)4)18-26(23)33-29-24-8-6-16-32-15-5-7-20(28(24)32)17-25(27)29;/h9-14,17-18H,5-8,15-16H2,1-4H3;1H/q+1;/p-1
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| InChIKey |
YVOHUHPNIYJWCI-UHFFFAOYSA-M
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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