General Information of the Compound
Compound ID
CP0575129
Compound Name
N-ethyl-2-[3-(4-methoxyphenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]acetamide
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Structure
Formula
C31H30N2O3
Molecular Weight
478.592
Canonical SMILES
CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2cc(ccc12)-c1ccc(OC)cc1
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InChI
InChI=1S/C31H30N2O3/c1-4-32(20-22-8-7-9-26(18-22)36-3)31(34)21-33-29-11-6-5-10-27(29)28-19-24(14-17-30(28)33)23-12-15-25(35-2)16-13-23/h5-19H,4,20-21H2,1-3H3
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InChIKey
XPMXYBXIOCDXNX-UHFFFAOYSA-N
Physicochemical Property
logP
6.5274
Rotatable Bonds
8
Heavy Atom Count
36
Polar Areas
43.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
36

"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: 155547788
ChEMBL ID
CHEMBL4532562
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 = 369 nM
   TI
   LI
   LO
   TS
2
Ki = 447.1 nM
   TI
   LI
   LO
   TS