General Information of the Compound
| Compound ID |
CP0013985
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| Compound Name |
3-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)-1-phenothiazin-10-ylpropan-1-one;iodide
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| Formula |
C27H22IN3OS
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| Molecular Weight |
563.464
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| Canonical SMILES |
[I-].C[n+]1ccc2n(CCC(=O)N3c4ccccc4Sc4ccccc34)c3ccccc3c2c1
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| InChI |
InChI=1S/C27H22N3OS.HI/c1-28-16-14-22-20(18-28)19-8-2-3-9-21(19)29(22)17-15-27(31)30-23-10-4-6-12-25(23)32-26-13-7-5-11-24(26)30;/h2-14,16,18H,15,17H2,1H3;1H/q+1;/p-1
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| InChIKey |
CIOBROXMDRKRND-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