General Information of the Compound
| Compound ID |
CP0431234
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-(4-phenylphenyl)acetamide
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| Structure |
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| Formula |
C27H28N2O3
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| Molecular Weight |
428.532
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| Canonical SMILES |
O=C(Cc1ccc(cc1)-c1ccccc1)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C27H28N2O3/c30-27(17-20-6-9-23(10-7-20)22-4-2-1-3-5-22)28-24-12-14-29(15-13-24)18-21-8-11-25-26(16-21)32-19-31-25/h1-11,16,24H,12-15,17-19H2,(H,28,30)
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| InChIKey |
KXBNSOIMMVFGPK-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