compound 32 [PMID: 19289283]   Click here for help

GtoPdb Ligand ID: 6351

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 72.4
Molecular weight 371.23
XLogP 2.7
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C1CCCC(CC1)Nc1ncnc2c1cc(OCCN1CCOCC1)nc2
Isomeric SMILES C1CCCC(CC1)Nc1ncnc2c1cc(OCCN1CCOCC1)nc2
InChI InChI=1S/C20H29N5O2/c1-2-4-6-16(5-3-1)24-20-17-13-19(21-14-18(17)22-15-23-20)27-12-9-25-7-10-26-11-8-25/h13-16H,1-12H2,(H,22,23,24)
InChI Key OGIVDFLCEHDQBN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-cycloheptyl-6-(2-morpholin-4-ylethoxy)pyrido[4,5-e]pyrimidin-4-amine
Database Links Click here for help
Specialist databases
GPCRdb Ligand compound 32 [PMID: 19289283]
Other databases
ChEMBL Ligand CHEMBL470396
GtoPdb PubChem SID 178102969
PubChem CID 11337722
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