General Information of the Compound
Compound ID
CP0499263
Compound Name
2-chloro-N-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]benzamide
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Structure
Formula
C22H15ClN2O2
Molecular Weight
374.827
Canonical SMILES
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1ncc(o1)-c1ccccc1
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InChI
InChI=1S/C22H15ClN2O2/c23-19-9-5-4-8-18(19)21(26)25-17-12-10-16(11-13-17)22-24-14-20(27-22)15-6-2-1-3-7-15/h1-14H,(H,25,26)
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InChIKey
IMMNYJPTNIWRMO-UHFFFAOYSA-N
Physicochemical Property
logP
5.9143
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
55.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
27

"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: 44549004
SID: 87231931
ChEMBL ID
CHEMBL1824910
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: PT04361, Protein smoothened
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000336 HEPM Homo sapiens (Human)  1
1
IC50 = 40 nM
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