General Information of the Compound
| Compound ID |
CP0377864
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| Compound Name |
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-(3-phenoxy-phenyl)-pentanenitrile
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| Structure |
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| Formula |
C28H29ClN2O2
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| Molecular Weight |
461.005
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| Canonical SMILES |
OC1(CCN(CCCC(C#N)c2cccc(Oc3ccccc3)c2)CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H29ClN2O2/c29-25-13-11-24(12-14-25)28(32)15-18-31(19-16-28)17-5-7-23(21-30)22-6-4-10-27(20-22)33-26-8-2-1-3-9-26/h1-4,6,8-14,20,23,32H,5,7,15-19H2
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| InChIKey |
XJRCFXANLVDQID-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