General Information of the Compound
| Compound ID |
CP0364707
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| Compound Name |
2-[[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]methyl]aniline
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| Structure |
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| Formula |
C18H15BrN4
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| Molecular Weight |
367.25
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| Canonical SMILES |
Nc1ccccc1Cn1cncc1-c1cc2cc(Br)ccc2[nH]1
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| InChI |
InChI=1S/C18H15BrN4/c19-14-5-6-16-13(7-14)8-17(22-16)18-9-21-11-23(18)10-12-3-1-2-4-15(12)20/h1-9,11,22H,10,20H2
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| InChIKey |
YQRYZEWQRMCGNE-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