General Information of the Compound
| Compound ID |
CP0380368
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| Compound Name |
2-(3-Bromo-4-methoxy-phenyl)-5-[4-(4-chloro-phenyl)-4-hydroxy-piperidin-1-yl]-pentanenitrile
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| Structure |
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| Formula |
C23H26BrClN2O2
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| Molecular Weight |
477.83
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| Canonical SMILES |
COc1ccc(cc1Br)C(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)C#N
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| InChI |
InChI=1S/C23H26BrClN2O2/c1-29-22-9-4-17(15-21(22)24)18(16-26)3-2-12-27-13-10-23(28,11-14-27)19-5-7-20(25)8-6-19/h4-9,15,18,28H,2-3,10-14H2,1H3
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| InChIKey |
ZIGSTFJZTOHULE-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