General Information of the Compound
| Compound ID |
CP0538625
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| Compound Name |
2-[3-[(2-amino-6-methylpyridin-3-yl)methyl]-4-methyl-2-(pyridin-3-ylmethyl)-1,3-thiazol-3-ium-5-yl]ethanol
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| Structure |
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| Formula |
C19H23N4OS+
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| Molecular Weight |
355.487
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| Canonical SMILES |
Cc1c(CCO)sc(Cc2cccnc2)[n+]1Cc1ccc(C)nc1N
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| InChI |
InChI=1S/C19H23N4OS/c1-13-5-6-16(19(20)22-13)12-23-14(2)17(7-9-24)25-18(23)10-15-4-3-8-21-11-15/h3-6,8,11,24H,7,9-10,12H2,1-2H3,(H2,20,22)/q+1
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| InChIKey |
AQDRMLZILQZWKT-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