General Information of the Compound
| Compound ID |
CP0440936
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| Compound Name |
4-(2-Benzhydryloxy-ethyl)-1-(3-phenyl-propyl)-piperazin-2-one
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| Structure |
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| Formula |
C28H32N2O2
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| Molecular Weight |
428.576
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| Canonical SMILES |
O=C1CN(CCOC(c2ccccc2)c2ccccc2)CCN1CCCc1ccccc1
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| InChI |
InChI=1S/C28H32N2O2/c31-27-23-29(19-20-30(27)18-10-13-24-11-4-1-5-12-24)21-22-32-28(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-9,11-12,14-17,28H,10,13,18-23H2
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| InChIKey |
KSRAFZQYEJWAQE-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
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter