General Information of the Compound
| Compound ID |
CP0089865
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| Compound Name |
(S)-3-(3,4-dichlorophenyl)-N-methyl-3-(5-methyl-2H-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 |
CNCC[C@@H](c1ccc(Cl)c(Cl)c1)n1nnc(C)n1
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| InChI |
InChI=1S/C12H15Cl2N5/c1-8-16-18-19(17-8)12(5-6-15-2)9-3-4-10(13)11(14)7-9/h3-4,7,12,15H,5-6H2,1-2H3/t12-/m0/s1
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| InChIKey |
ZLRRLSAVNUFCQT-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