General Information of the Compound
Compound ID
CP0476561
Compound Name
2-[3-(4-methoxyphenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
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Structure
Formula
C30H28N2O3
Molecular Weight
464.565
Canonical SMILES
COc1ccc(cc1)-c1ccc2n(CC(=O)N(C)Cc3cccc(OC)c3)c3ccccc3c2c1
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InChI
InChI=1S/C30H28N2O3/c1-31(19-21-7-6-8-25(17-21)35-3)30(33)20-32-28-10-5-4-9-26(28)27-18-23(13-16-29(27)32)22-11-14-24(34-2)15-12-22/h4-18H,19-20H2,1-3H3
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InChIKey
UOXYKDMPPYPHSW-UHFFFAOYSA-N
Physicochemical Property
logP
6.1373
Rotatable Bonds
7
Heavy Atom Count
35
Polar Areas
43.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
35

"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: 155526405
ChEMBL ID
CHEMBL4459176
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)  4
1
Ki = 3.2 nM
   TI
   LI
   LO
   TS
2
Ki = 6.6 nM
   TI
   LI
   LO
   TS
3
Ki = 23.2 nM
   TI
   LI
   LO
   TS
4
Ki = 25.4 nM
   TI
   LI
   LO
   TS