General Information of the Compound
| Compound ID |
CP0445158
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| Compound Name |
4-[(4-tert-butylphenoxy)methyl]-N-[1-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]pyrrolidin-3-yl]benzamide
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| Structure |
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| Formula |
C38H45N3O2
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| Molecular Weight |
575.797
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| Canonical SMILES |
CC(C)(C)c1ccc(OCc2ccc(cc2)C(=O)NC2CCN(C2)C2CCN(Cc3ccc4ccccc4c3)CC2)cc1
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| InChI |
InChI=1S/C38H45N3O2/c1-38(2,3)33-14-16-36(17-15-33)43-27-28-8-12-31(13-9-28)37(42)39-34-18-23-41(26-34)35-19-21-40(22-20-35)25-29-10-11-30-6-4-5-7-32(30)24-29/h4-17,24,34-35H,18-23,25-27H2,1-3H3,(H,39,42)
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| InChIKey |
ZQMJKQGLBIJIRP-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