General Information of the Compound
| Compound ID |
CP0445155
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| Compound Name |
N-[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]-4-[(4-tert-butylphenoxy)methyl]benzamide
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| Structure |
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| Formula |
C34H43N3O2
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| Molecular Weight |
525.737
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| Canonical SMILES |
CC(C)(C)c1ccc(OCc2ccc(cc2)C(=O)NC2CCN(C2)C2CCN(Cc3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C34H43N3O2/c1-34(2,3)29-13-15-32(16-14-29)39-25-27-9-11-28(12-10-27)33(38)35-30-17-22-37(24-30)31-18-20-36(21-19-31)23-26-7-5-4-6-8-26/h4-16,30-31H,17-25H2,1-3H3,(H,35,38)
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| InChIKey |
ZQSWUZJRLPTXDM-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