General Information of the Compound
| Compound ID |
CP0000202
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| Compound Name |
2-(N-tert-Butylamino)-3'-chlorobutyrophenone
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| Synonyms |
2-(tert-butylamino)-1-(3-chlorophenyl)butan-1-one
AC1MHKA5
BDBM50302929
CHEMBL566886
SCHEMBL770048
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| Structure |
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| Formula |
C14H20ClNO
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| Molecular Weight |
253.773
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| Canonical SMILES |
CCC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C14H20ClNO/c1-5-12(16-14(2,3)4)13(17)10-7-6-8-11(15)9-10/h6-9,12,16H,5H2,1-4H3
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| InChIKey |
PGTPXIBBHIHMQS-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