General Information of the Compound
| Compound ID |
CP0374564
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| Compound Name |
3-(3,4-dichlorophenyl)-N,N-dimethyl-3-(tetrazol-2-yl)propan-1-amine
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| Structure |
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| Formula |
C12H15Cl2N5
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| Molecular Weight |
300.193
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| Canonical SMILES |
CN(C)CCC(c1ccc(Cl)c(Cl)c1)n1ncnn1
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| InChI |
InChI=1S/C12H15Cl2N5/c1-18(2)6-5-12(19-16-8-15-17-19)9-3-4-10(13)11(14)7-9/h3-4,7-8,12H,5-6H2,1-2H3
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| InChIKey |
PVTZQLSVJXEDHJ-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