Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

SEQ

Summary
Name:~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine
Synonyms:TH10785
Formula:C17 H21 N3
Formal charge:0
Formula weight:267.369 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H21N3/c1-2-6-13(7-3-1)18-17-14-8-4-5-9-15(14)19-16(20-17)12-10-11-12/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,18,19,20)
InChIKeyInChI1.03ZQMGQZOHIDOPCQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C1CCC(CC1)Nc2nc(nc3ccccc23)C4CC4
SMILESCACTVS3.385C1CCC(CC1)Nc2nc(nc3ccccc23)C4CC4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)c(nc(n2)C3CC3)NC4CCCCC4
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)c(nc(n2)C3CC3)NC4CCCCC4

221051

PDB entries from 2024-06-12

PDB statisticsPDBj update infoContact PDBjnumon