General Information of the Compound
| Compound ID |
CP0305750
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| Compound Name |
1-(2-(2-(cyclopropylmethoxy)phenyl)-1-phenylethyl)piperazine
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| Structure |
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| Formula |
C22H28N2O
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| Molecular Weight |
336.479
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| Canonical SMILES |
C(Oc1ccccc1CC(N1CCNCC1)c1ccccc1)C1CC1
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| InChI |
InChI=1S/C22H28N2O/c1-2-6-19(7-3-1)21(24-14-12-23-13-15-24)16-20-8-4-5-9-22(20)25-17-18-10-11-18/h1-9,18,21,23H,10-17H2
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| InChIKey |
AQGRUVIDIWOMIH-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