General Information of the Compound
| Compound ID |
CP0001153
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| Compound Name |
2-(tert-Butylamino)-3',4'-dichlorobutyrophenone
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| Synonyms |
2-(tert-Butylamino)-3'',4''-dichlorobutyrophenone
2-(tert-Butylamino)-3',4'-dichlorobutyrophenone
BDBM50302914
CHEMBL566208
SCHEMBL634229
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| Structure |
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| Formula |
C14H19Cl2NO
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| Molecular Weight |
288.218
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| Canonical SMILES |
CCC(NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C14H19Cl2NO/c1-5-12(17-14(2,3)4)13(18)9-6-7-10(15)11(16)8-9/h6-8,12,17H,5H2,1-4H3
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| InChIKey |
JYBXLCIZWPNCMU-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
Clinical Information about the Compound