General Information of the Compound
| Compound ID |
CP0445642
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-[4-(3-cyanophenyl)phenyl]acetamide
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| Structure |
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| Formula |
C28H27N3O3
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| Molecular Weight |
453.542
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| Canonical SMILES |
O=C(Cc1ccc(cc1)-c1cccc(c1)C#N)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C28H27N3O3/c29-17-21-2-1-3-24(14-21)23-7-4-20(5-8-23)16-28(32)30-25-10-12-31(13-11-25)18-22-6-9-26-27(15-22)34-19-33-26/h1-9,14-15,25H,10-13,16,18-19H2,(H,30,32)
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| InChIKey |
KTUKTIFKDJOEIN-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