General Information of the Compound
| Compound ID |
CP0222546
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| Compound Name |
4-[5-(4-Chloro-phenyl)-3-(2-isobutoxy-phenyl)-1H-pyrrol-2-yl]-pyridine
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| Structure |
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| Formula |
C25H23ClN2O
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| Molecular Weight |
402.925
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| Canonical SMILES |
CC(C)COc1ccccc1-c1cc([nH]c1-c1ccncc1)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H23ClN2O/c1-17(2)16-29-24-6-4-3-5-21(24)22-15-23(18-7-9-20(26)10-8-18)28-25(22)19-11-13-27-14-12-19/h3-15,17,28H,16H2,1-2H3
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| InChIKey |
FFRLVMNTSSMAOD-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