General Information of the Compound
| Compound ID |
CP0427972
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| Compound Name |
4-[(4-tert-butylphenoxy)methyl]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]benzamide
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| Structure |
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| Formula |
C28H39N3O2
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| Molecular Weight |
449.639
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| Canonical SMILES |
CN1CCC(CC1)N1CCC(C1)NC(=O)c1ccc(COc2ccc(cc2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C28H39N3O2/c1-28(2,3)23-9-11-26(12-10-23)33-20-21-5-7-22(8-6-21)27(32)29-24-13-18-31(19-24)25-14-16-30(4)17-15-25/h5-12,24-25H,13-20H2,1-4H3,(H,29,32)
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| InChIKey |
IXSKUBJSHRYGNK-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