General Information of the Compound
Compound ID
CP0397191
Compound Name
2-cyclopropyl-6,7-dimethoxy-4-piperazin-1-ylquinazoline
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Structure
Formula
C17H22N4O2
Molecular Weight
314.389
Canonical SMILES
COc1cc2nc(nc(N3CCNCC3)c2cc1OC)C1CC1
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InChI
InChI=1S/C17H22N4O2/c1-22-14-9-12-13(10-15(14)23-2)19-16(11-3-4-11)20-17(12)21-7-5-18-6-8-21/h9-11,18H,3-8H2,1-2H3
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InChIKey
DNVUUDPAIIWHMU-UHFFFAOYSA-N
Physicochemical Property
logP
1.934
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
59.51
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 56593292
ChEMBL ID
CHEMBL2431110
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: PT03308, G-protein coupled receptor 35
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 > 40000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02429, Neurotensin receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 > 80000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02626, Neurotensin receptor type 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 > 80000 nM
   TI
   LI
   LO
   TS