General Information of the Compound
Compound ID
CP0576012
Compound Name
2-carbazol-9-yl-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
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Structure
Formula
C23H21FN2O
Molecular Weight
360.432
Canonical SMILES
CCN(Cc1cccc(F)c1)C(=O)Cn1c2ccccc2c2ccccc12
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InChI
InChI=1S/C23H21FN2O/c1-2-25(15-17-8-7-9-18(24)14-17)23(27)16-26-21-12-5-3-10-19(21)20-11-4-6-13-22(20)26/h3-14H,2,15-16H2,1H3
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InChIKey
PMQWCLKWVDQSIN-UHFFFAOYSA-N
Physicochemical Property
logP
4.9823
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
25.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 155517967
ChEMBL ID
CHEMBL4445371
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: PT01817, Translocator protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 562.5 nM
   TI
   LI
   LO
   TS
2
Ki > 10000 nM
   TI
   LI
   LO
   TS