General Information of the Compound
| Compound ID |
CP0011747
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| Compound Name |
3-(8-methoxy-2-methylpyrido[4,3-b]indol-2-ium-5-yl)-1-phenothiazin-10-ylpropan-1-one;iodide
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| Formula |
C28H24IN3O2S
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| Molecular Weight |
593.49
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| Canonical SMILES |
[I-].COc1ccc2n(CCC(=O)N3c4ccccc4Sc4ccccc34)c3cc[n+](C)cc3c2c1
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| InChI |
InChI=1S/C28H24N3O2S.HI/c1-29-15-13-23-21(18-29)20-17-19(33-2)11-12-22(20)30(23)16-14-28(32)31-24-7-3-5-9-26(24)34-27-10-6-4-8-25(27)31;/h3-13,15,17-18H,14,16H2,1-2H3;1H/q+1;/p-1
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| InChIKey |
KVNGRUIHOVASGF-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