General Information of the Compound
| Compound ID |
CP0449293
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| Compound Name |
2-{4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1-cyano-butyl}-benzonitrile
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| Structure |
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| Formula |
C23H24ClN3O
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| Molecular Weight |
393.918
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| Canonical SMILES |
OC1(CCN(CCCC(C#N)c2ccccc2C#N)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C23H24ClN3O/c24-21-9-7-20(8-10-21)23(28)11-14-27(15-12-23)13-3-5-19(17-26)22-6-2-1-4-18(22)16-25/h1-2,4,6-10,19,28H,3,5,11-15H2
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| InChIKey |
CEWNKOXWSXXSKW-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