General Information of the Compound
Compound ID
CP0526852
Compound Name
5-(2,4-dimethylphenyl)-2-(dipropylamino)-3,6,7-trimethyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
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Structure
Formula
C23H32N4O
Molecular Weight
380.536
Canonical SMILES
CCCN(CCC)c1nc2n(C)c(C)c(-c3ccc(C)cc3C)c2c(=O)n1C
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InChI
InChI=1S/C23H32N4O/c1-8-12-27(13-9-2)23-24-21-20(22(28)26(23)7)19(17(5)25(21)6)18-11-10-15(3)14-16(18)4/h10-11,14H,8-9,12-13H2,1-7H3
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InChIKey
UDJXZALLWKIJIJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.49066
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
43.06
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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: 54586829
ChEMBL ID
CHEMBL1760258
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: PT01588, Corticotropin-releasing factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 3300 nM
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