General Information of the Compound
Compound ID
CP0102919
Compound Name
(S)-2-phenoxy-N-phenyl-N-(pyrrolidin-3-yl)benzamide
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Structure
Formula
C23H22N2O2
Molecular Weight
358.441
Canonical SMILES
O=C(N([C@H]1CCNC1)c1ccccc1)c1ccccc1Oc1ccccc1
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InChI
InChI=1S/C23H22N2O2/c26-23(25(19-15-16-24-17-19)18-9-3-1-4-10-18)21-13-7-8-14-22(21)27-20-11-5-2-6-12-20/h1-14,19,24H,15-17H2/t19-/m0/s1
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InChIKey
OOCIRVSPZDCFHT-IBGZPJMESA-N
Physicochemical Property
logP
4.4876
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
41.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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).

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PubChem ID
CID: 11610150
SID: 16713015
ChEMBL ID
CHEMBL564935
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 4650 nM
   TI
   LI
   LO
   TS
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 3 nM
   TI
   LI
   LO
   TS
Protein ID: PT00871, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 68 nM
   TI
   LI
   LO
   TS