General Information of the Compound
| Compound ID |
CP0530531
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| Compound Name |
(1R,2R)-2-(aminomethyl)-1-(5-chlorothiophen-2-yl)-N,N-diethylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C13H19ClN2OS
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| Molecular Weight |
286.828
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| Canonical SMILES |
CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccc(Cl)s1
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| InChI |
InChI=1S/C13H19ClN2OS/c1-3-16(4-2)12(17)13(7-9(13)8-15)10-5-6-11(14)18-10/h5-6,9H,3-4,7-8,15H2,1-2H3/t9-,13-/m0/s1
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| InChIKey |
LLAFUUNOXYVHHL-ZANVPECISA-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