General Information of the Compound
Compound ID
CP0422966
Compound Name
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(3-phenylcarbazol-9-yl)acetamide
    Show/Hide
Structure
Formula
C29H26N2O2
Molecular Weight
434.539
Canonical SMILES
COc1cccc(CN(C)C(=O)Cn2c3ccccc3c3cc(ccc23)-c2ccccc2)c1
    Show/Hide
InChI
InChI=1S/C29H26N2O2/c1-30(19-21-9-8-12-24(17-21)33-2)29(32)20-31-27-14-7-6-13-25(27)26-18-23(15-16-28(26)31)22-10-4-3-5-11-22/h3-18H,19-20H2,1-2H3
    Show/Hide
InChIKey
PQLFAOJJKWOKRN-UHFFFAOYSA-N
Physicochemical Property
logP
6.1287
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
34.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
33

"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
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 155558424
ChEMBL ID
CHEMBL4560218
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 = 208.4 nM
   TI
   LI
   LO
   TS
2
Ki = 231.2 nM
   TI
   LI
   LO
   TS