General Information of the Compound
| Compound ID |
CP0051820
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| Compound Name |
4-[5-(4-Chloro-phenyl)-3-phenyl-1H-pyrrol-2-yl]-pyridine
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| Structure |
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| Formula |
C21H15ClN2
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| Molecular Weight |
330.818
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccccc1
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| InChI |
InChI=1S/C21H15ClN2/c22-18-8-6-16(7-9-18)20-14-19(15-4-2-1-3-5-15)21(24-20)17-10-12-23-13-11-17/h1-14,24H
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| InChIKey |
VNQSYWZBMNSLRL-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