General Information of the Compound
Compound ID
CP0520355
Compound Name
N-(cyclopropylmethyl)-N-[[2-(trifluoromethyl)-8-(2,4,6-trimethylphenyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-yl]methyl]propan-1-amine
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Structure
Formula
C24H33F3N4
Molecular Weight
434.55
Canonical SMILES
CCCN(CC1CC1)Cc1c(nc2N(CCCn12)c1c(C)cc(C)cc1C)C(F)(F)F
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InChI
InChI=1S/C24H33F3N4/c1-5-9-29(14-19-7-8-19)15-20-22(24(25,26)27)28-23-30(20)10-6-11-31(23)21-17(3)12-16(2)13-18(21)4/h12-13,19H,5-11,14-15H2,1-4H3
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InChIKey
NECNAEMRXKFEII-UHFFFAOYSA-N
Physicochemical Property
logP
5.99096
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
24.3
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: 21916145
SID: 99232153
ChEMBL ID
CHEMBL1087164
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 = 32 nM
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