General Information of the Compound
| Compound ID |
CP0373895
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| Compound Name |
2-(N-Isopropylamino)-3'-chloropropiophenone
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| Synonyms |
1-(3-chlorophenyl)-2-(propan-2-ylamino)propan-1-one
130839-36-0
2-(N-Isopropylamino)-3'-chloropropiophenone
AC1MHRAR
BDBM50302920
CHEMBL565397
SCHEMBL770155
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| Structure |
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| Formula |
C12H16ClNO
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| Molecular Weight |
225.719
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| Canonical SMILES |
CC(C)NC(C)C(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C12H16ClNO/c1-8(2)14-9(3)12(15)10-5-4-6-11(13)7-10/h4-9,14H,1-3H3
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| InChIKey |
WHPARCHZPIKXEX-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