General Information of the Compound
Compound ID
CP0505343
Compound Name
2-chloro-N-[4-(3-phenylphenyl)phenyl]benzamide
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Structure
Formula
C25H18ClNO
Molecular Weight
383.878
Canonical SMILES
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1cccc(c1)-c1ccccc1
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InChI
InChI=1S/C25H18ClNO/c26-24-12-5-4-11-23(24)25(28)27-22-15-13-19(14-16-22)21-10-6-9-20(17-21)18-7-2-1-3-8-18/h1-17H,(H,27,28)
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InChIKey
YWCQFUMHTWJNBJ-UHFFFAOYSA-N
Physicochemical Property
logP
6.9263
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
28

"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: 56658188
ChEMBL ID
CHEMBL1824915
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 = 6.4 nM
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