General Information of the Compound
| Compound ID |
CP0518104
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| Compound Name |
2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
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| Structure |
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| Formula |
C18H14BrN3O
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| Molecular Weight |
368.234
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| Canonical SMILES |
Oc1ccccc1-c1cncn1Cc1cc2cc(Br)ccc2[nH]1
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| InChI |
InChI=1S/C18H14BrN3O/c19-13-5-6-16-12(7-13)8-14(21-16)10-22-11-20-9-17(22)15-3-1-2-4-18(15)23/h1-9,11,21,23H,10H2
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| InChIKey |
PIPVVXXXDHECFG-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