General Information of the Compound
| Compound ID |
CP0222549
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| Compound Name |
4-[3-(3-Bromo-phenyl)-5-(4-chloro-phenyl)-1H-pyrrol-2-yl]-pyridine
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| Structure |
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| Formula |
C21H14BrClN2
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| Molecular Weight |
409.714
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1cccc(Br)c1
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| InChI |
InChI=1S/C21H14BrClN2/c22-17-3-1-2-16(12-17)19-13-20(14-4-6-18(23)7-5-14)25-21(19)15-8-10-24-11-9-15/h1-13,25H
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| InChIKey |
DKZILDKFHNFIHZ-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