General Information of the Compound
| Compound ID |
CP0558582
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| Compound Name |
1-[3-(4-benzylphenoxy)propyl]-4-pyridin-4-ylpiperazine
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| Formula |
C25H29N3O
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| Molecular Weight |
387.527
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| Canonical SMILES |
C(COc1ccc(Cc2ccccc2)cc1)CN1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C25H29N3O/c1-2-5-22(6-3-1)21-23-7-9-25(10-8-23)29-20-4-15-27-16-18-28(19-17-27)24-11-13-26-14-12-24/h1-3,5-14H,4,15-21H2
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| InChIKey |
COHHQAGWNNWQNI-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