General Information of the Compound
Compound ID
CP0434388
Compound Name
US10251893, Cpd 50
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Structure
Formula
C26H22N2O
Molecular Weight
378.475
Canonical SMILES
Cc1cc(ccn1)-c1ccc(CC(=O)Nc2ccc(cc2)-c2ccccc2)cc1
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InChI
InChI=1S/C26H22N2O/c1-19-17-24(15-16-27-19)23-9-7-20(8-10-23)18-26(29)28-25-13-11-22(12-14-25)21-5-3-2-4-6-21/h2-17H,18H2,1H3,(H,28,29)
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InChIKey
SNYVZWBGTUFKJH-UHFFFAOYSA-N
Physicochemical Property
logP
5.90522
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 58447907
ChEMBL ID
CHEMBL3759253
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
CL000633 TM3 Mus musculus (Mouse)  1
1
IC50 = 0.2 nM
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