General Information of the Compound
Compound ID
CP0416472
Compound Name
2-(2-morpholin-4-ylethyl)-1-(pyrimidin-4-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)hydrazine
    Show/Hide
Structure
Formula
C20H28N6O
Molecular Weight
368.485
Canonical SMILES
C(CN1CCOCC1)NN(Cc1ccncn1)C1CCCc2cccnc12
    Show/Hide
InChI
InChI=1S/C20H28N6O/c1-3-17-4-2-7-22-20(17)19(5-1)26(15-18-6-8-21-16-23-18)24-9-10-25-11-13-27-14-12-25/h2,4,6-8,16,19,24H,1,3,5,9-15H2
    Show/Hide
InChIKey
OAOAGAOOVCFGLR-UHFFFAOYSA-N
Physicochemical Property
logP
1.588
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
66.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
27

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 145969178
ChEMBL ID
CHEMBL4218715
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: PT02059, C-X-C chemokine receptor type 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000571 HPB-ALL Homo sapiens (Human)  1
1
IC50 = 640 nM
   TI
   LI
   LO
   TS