General Information of the Compound
Compound ID
CP0511804
Compound Name
N-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-9H-carbazole-2-carboxamide
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Structure
Formula
C24H20N4O
Molecular Weight
380.451
Canonical SMILES
Cc1cn(cn1)-c1ccc(CNC(=O)c2ccc3c(c2)[nH]c2ccccc32)cc1
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InChI
InChI=1S/C24H20N4O/c1-16-14-28(15-26-16)19-9-6-17(7-10-19)13-25-24(29)18-8-11-21-20-4-2-3-5-22(20)27-23(21)12-18/h2-12,14-15,27H,13H2,1H3,(H,25,29)
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InChIKey
MGXVONZFTJNWBX-UHFFFAOYSA-N
Physicochemical Property
logP
4.74522
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
62.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 134133695
ChEMBL ID
CHEMBL3898006
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: PT04787, Protein-serine O-palmitoleoyltransferase porcupine
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 119 nM
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