General Information of the Compound
Compound ID
CP0444589
Compound Name
N-ethyl-N-[(3-methoxyphenyl)methyl]-2-(3-phenylcarbazol-9-yl)acetamide
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Structure
Formula
C30H28N2O2
Molecular Weight
448.566
Canonical SMILES
CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(ccc12)-c1ccccc1
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InChI
InChI=1S/C30H28N2O2/c1-3-31(20-22-10-9-13-25(18-22)34-2)30(33)21-32-28-15-8-7-14-26(28)27-19-24(16-17-29(27)32)23-11-5-4-6-12-23/h4-19H,3,20-21H2,1-2H3
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InChIKey
WMIYYHPGWOFADE-UHFFFAOYSA-N
Physicochemical Property
logP
6.5188
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
34.47
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
34

"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: 155528306
ChEMBL ID
CHEMBL4461372
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 = 385.3 nM
   TI
   LI
   LO
   TS
2
Ki = 418.2 nM
   TI
   LI
   LO
   TS