General Information of the Compound
| Compound ID |
CP0487891
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| Compound Name |
(S)-3-(5-(2H-1,2,3-triazol-2-yl)-2H-tetrazol-2-yl)-3-(3,4-dichlorophenyl)-N-methylpropan-1-amine
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| Structure |
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| Formula |
C13H14Cl2N8
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| Molecular Weight |
353.217
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| Canonical SMILES |
CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(n1)-n1nccn1
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| InChI |
InChI=1S/C13H14Cl2N8/c1-16-5-4-12(9-2-3-10(14)11(15)8-9)22-20-13(19-21-22)23-17-6-7-18-23/h2-3,6-8,12,16H,4-5H2,1H3/t12-/m0/s1
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| InChIKey |
UOGHZTJKVOOTDF-LBPRGKRZSA-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