General Information of the Compound
| Compound ID |
CP0501227
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| Compound Name |
4-[2-(4-Chloro-phenyl)-2-(3-cyclopentyloxy-4-methoxy-phenyl)-ethyl]-pyridine
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| Structure |
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| Formula |
C25H26ClNO2
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| Molecular Weight |
407.941
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| Canonical SMILES |
COc1ccc(cc1OC1CCCC1)C(Cc1ccncc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H26ClNO2/c1-28-24-11-8-20(17-25(24)29-22-4-2-3-5-22)23(16-18-12-14-27-15-13-18)19-6-9-21(26)10-7-19/h6-15,17,22-23H,2-5,16H2,1H3
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| InChIKey |
PUMZWWFKADZJCP-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