General Information of the Compound
Compound ID
CP0514718
Compound Name
N-(9H-fluoren-2-ylmethyl)-4-pyrazin-2-ylbenzamide
    Show/Hide
Structure
Formula
C25H19N3O
Molecular Weight
377.447
Canonical SMILES
O=C(NCc1ccc-2c(Cc3ccccc-23)c1)c1ccc(cc1)-c1cnccn1
    Show/Hide
InChI
InChI=1S/C25H19N3O/c29-25(19-8-6-18(7-9-19)24-16-26-11-12-27-24)28-15-17-5-10-23-21(13-17)14-20-3-1-2-4-22(20)23/h1-13,16H,14-15H2,(H,28,29)
    Show/Hide
InChIKey
ZKACLIQQILUJTM-UHFFFAOYSA-N
Physicochemical Property
logP
4.6448
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
54.88
Hydrogen Bond Donor Count
1
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 134144138
ChEMBL ID
CHEMBL3954840
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 > 1000 nM
   TI
   LI
   LO
   TS