General Information of the Compound
| Compound ID |
CP0380227
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| Compound Name |
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-(4-ethoxy-phenyl)-pentanenitrile
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| Structure |
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| Formula |
C24H29ClN2O2
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| Molecular Weight |
412.961
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| Canonical SMILES |
CCOc1ccc(cc1)C(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)C#N
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| InChI |
InChI=1S/C24H29ClN2O2/c1-2-29-23-11-5-19(6-12-23)20(18-26)4-3-15-27-16-13-24(28,14-17-27)21-7-9-22(25)10-8-21/h5-12,20,28H,2-4,13-17H2,1H3
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| InChIKey |
LDJQBGKZPSTYAP-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