General Information of the Compound
Compound ID
CP0503341
Compound Name
2-chloro-N-[4-(2-phenylpyridin-4-yl)phenyl]benzamide
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Structure
Formula
C24H17ClN2O
Molecular Weight
384.866
Canonical SMILES
Clc1ccccc1C(=O)Nc1ccc(cc1)-c1ccnc(c1)-c1ccccc1
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InChI
InChI=1S/C24H17ClN2O/c25-22-9-5-4-8-21(22)24(28)27-20-12-10-17(11-13-20)19-14-15-26-23(16-19)18-6-2-1-3-7-18/h1-16H,(H,27,28)
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InChIKey
CWNYUTULGYMZAL-UHFFFAOYSA-N
Physicochemical Property
logP
6.3213
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 56668560
ChEMBL ID
CHEMBL1824922
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 = 93 nM
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