General Information of the Compound
Compound ID
CP0400293
Compound Name
N,N-bis(prop-2-enyl)-2-(trifluoromethyl)-8-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine-3-carboxamide
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Structure
Formula
C23H27F3N4O
Molecular Weight
432.49
Canonical SMILES
Cc1cc(C)c(N2CCCn3c2nc(c3C(=O)N(CC=C)CC=C)C(F)(F)F)c(C)c1
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InChI
InChI=1S/C23H27F3N4O/c1-6-9-28(10-7-2)21(31)19-20(23(24,25)26)27-22-29(11-8-12-30(19)22)18-16(4)13-15(3)14-17(18)5/h6-7,13-14H,1-2,8-12H2,3-5H3
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InChIKey
XMWANDLRFFHRIY-UHFFFAOYSA-N
Physicochemical Property
logP
5.18316
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
41.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 46881397
ChEMBL ID
CHEMBL1087167
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 = 19 nM
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