General Information of the Compound
| Compound ID |
CP0496947
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| Compound Name |
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-(1-methyl-1H-pyrrol-2-yl)-pentanenitrile
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| Structure |
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| Formula |
C21H26ClN3O
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| Molecular Weight |
371.912
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| Canonical SMILES |
Cn1cccc1C(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)C#N
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| InChI |
InChI=1S/C21H26ClN3O/c1-24-12-3-5-20(24)17(16-23)4-2-13-25-14-10-21(26,11-15-25)18-6-8-19(22)9-7-18/h3,5-9,12,17,26H,2,4,10-11,13-15H2,1H3
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| InChIKey |
REUWUBBSGRWODF-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