General Information of the Compound
| Compound ID |
CP0422979
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| Compound Name |
4-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]benzonitrile
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| Formula |
C25H26N4O
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| Molecular Weight |
398.51
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| Canonical SMILES |
N#Cc1ccc(cc1)-c1ccc(OCCCN2CCN(CC2)c2ccncc2)cc1
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| InChI |
InChI=1S/C25H26N4O/c26-20-21-2-4-22(5-3-21)23-6-8-25(9-7-23)30-19-1-14-28-15-17-29(18-16-28)24-10-12-27-13-11-24/h2-13H,1,14-19H2
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| InChIKey |
MROYQSNDBHFVIZ-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