General Information of the Compound
| Compound ID |
CP0379291
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| Compound Name |
N-(azetidin-3-ylmethyl)-N-[(3-methylphenyl)methyl]aniline;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C20H23F3N2O2
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| Molecular Weight |
380.41
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| Canonical SMILES |
OC(=O)C(F)(F)F.Cc1cccc(CN(CC2CNC2)c2ccccc2)c1
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| InChI |
InChI=1S/C18H22N2.C2HF3O2/c1-15-6-5-7-16(10-15)13-20(14-17-11-19-12-17)18-8-3-2-4-9-18;3-2(4,5)1(6)7/h2-10,17,19H,11-14H2,1H3;(H,6,7)
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| InChIKey |
BSFXNCULKKRGGQ-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