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H1U

Summary
Name:N-[[3-[2-[(phenylmethyl)amino]ethyl]-1H-indol-2-yl]methyl]cycloheptanamine
Formula:C25 H33 N3
Formal charge:0
Formula weight:375.55 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[[3-[2-[(phenylmethyl)amino]ethyl]-1~{H}-indol-2-yl]methyl]cycloheptanamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C25H33N3/c1-2-7-13-21(12-6-1)27-19-25-23(22-14-8-9-15-24(22)28-25)16-17-26-18-20-10-4-3-5-11-20/h3-5,8-11,14-15,21,26-28H,1-2,6-7,12-13,16-19H2
InChIKeyInChI1.03VJTXDVYRAXQJAK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C1CCCC(CC1)NCc2[nH]c3ccccc3c2CCNCc4ccccc4
SMILESCACTVS3.385C1CCCC(CC1)NCc2[nH]c3ccccc3c2CCNCc4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)CNCCc2c3ccccc3[nH]c2CNC4CCCCCC4
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CNCCc2c3ccccc3[nH]c2CNC4CCCCCC4

234785

PDB entries from 2025-04-16

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