General Information of the Compound
| Compound ID |
CP0008951
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| Compound Name |
3-(2,8-dimethylpyrido[4,3-b]indol-2-ium-5-yl)-1-phenothiazin-10-ylpropan-1-one;iodide
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| Formula |
C28H24IN3OS
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| Molecular Weight |
577.491
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| Canonical SMILES |
[I-].Cc1ccc2n(CCC(=O)N3c4ccccc4Sc4ccccc34)c3cc[n+](C)cc3c2c1
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| InChI |
InChI=1S/C28H24N3OS.HI/c1-19-11-12-22-20(17-19)21-18-29(2)15-13-23(21)30(22)16-14-28(32)31-24-7-3-5-9-26(24)33-27-10-6-4-8-25(27)31;/h3-13,15,17-18H,14,16H2,1-2H3;1H/q+1;/p-1
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| InChIKey |
BIUNFSSTZHGILH-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