General Information of the Compound
| Compound ID |
CP0107801
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| Compound Name |
1-(2-(2-cyclopropoxyphenyl)-1-phenylethyl)piperazine
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| Structure |
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| Formula |
C21H26N2O
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| Molecular Weight |
322.452
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| Canonical SMILES |
C(C(N1CCNCC1)c1ccccc1)c1ccccc1OC1CC1
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| InChI |
InChI=1S/C21H26N2O/c1-2-6-17(7-3-1)20(23-14-12-22-13-15-23)16-18-8-4-5-9-21(18)24-19-10-11-19/h1-9,19-20,22H,10-16H2
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| InChIKey |
NSVJPFSJIISEIG-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