General Information of the Compound
Compound ID
CP0900593
Compound Name
2-ethoxy-N-(2-(5-iodopyridin-3-ylcarbamoyl)phenyl)benzamide
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Structure
Formula
C21H18IN3O3
Molecular Weight
487.297
Canonical SMILES
CCOc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cncc(I)c1
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InChI
InChI=1S/C21H18IN3O3/c1-2-28-19-10-6-4-8-17(19)21(27)25-18-9-5-3-7-16(18)20(26)24-15-11-14(22)12-23-13-15/h3-13H,2H2,1H3,(H,24,26)(H,25,27)
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InChIKey
OFZSZTDSDMQFKK-UHFFFAOYSA-N
Physicochemical Property
logP
4.5895
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
80.32
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 90010727
ChEMBL ID
CHEMBL3715451
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: PT05999, Relaxin receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
AC50 = 11800 nM
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