General Information of the Compound
| Compound ID |
CP0090151
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| Compound Name |
N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]azetidin-3-amine
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| Structure |
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| Formula |
C13H16Cl2N2
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| Molecular Weight |
271.191
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| Canonical SMILES |
Clc1ccc(CN(C2CC2)C2CNC2)cc1Cl
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| InChI |
InChI=1S/C13H16Cl2N2/c14-12-4-1-9(5-13(12)15)8-17(10-2-3-10)11-6-16-7-11/h1,4-5,10-11,16H,2-3,6-8H2
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| InChIKey |
AMGZVHXDDMROJU-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter