General Information of the Compound
Compound ID
CP0485598
Compound Name
2-methyl-N-prop-2-enyl-N-propyl-8-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine-3-carboxamide
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Structure
Formula
C23H32N4O
Molecular Weight
380.536
Canonical SMILES
CCCN(CC=C)C(=O)c1c(C)nc2N(CCCn12)c1c(C)cc(C)cc1C
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InChI
InChI=1S/C23H32N4O/c1-7-10-25(11-8-2)22(28)21-19(6)24-23-26(12-9-13-27(21)23)20-17(4)14-16(3)15-18(20)5/h7,14-15H,1,8-13H2,2-6H3
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InChIKey
DVIWMCZJJUURIR-UHFFFAOYSA-N
Physicochemical Property
logP
4.69678
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
41.37
Hydrogen Bond Donor Count
0
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: 46881385
ChEMBL ID
CHEMBL1083823
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
CL000016 IMR-32 Homo sapiens (Human)  1
1
Ki > 5000 nM
   TI
   LI
   LO
   TS