General Information of the Compound
| Compound ID |
CP0567301
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| Compound Name |
3-(1-benzylpiperidin-4-yl)-1-(1H-indol-5-yl)propan-1-one
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| Structure |
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| Formula |
C23H26N2O
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| Molecular Weight |
346.474
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| Canonical SMILES |
O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]ccc2c1
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| InChI |
InChI=1S/C23H26N2O/c26-23(21-7-8-22-20(16-21)10-13-24-22)9-6-18-11-14-25(15-12-18)17-19-4-2-1-3-5-19/h1-5,7-8,10,13,16,18,24H,6,9,11-12,14-15,17H2
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| InChIKey |
CPQKZLNBCUOHCW-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