N-[3-({3-[2-(cyclohexyloxy)ethyl]-1-[(methylamino)methyl]cyclopentyl}oxy)-2-hydroxy-5-[(3E)-5-{1-[(4-hydroxy-3-methoxyphenyl)methyl]cyclopentyl}-5-oxopent-3-en-1-yl]phenyl]-N'-methylguanidine
AlkaPlorer ID: AK492477
Synonym: None
IUPAC Name: 1-[3-[3-(2-cyclohexyloxyethyl)-1-(methylaminomethyl)cyclopentyl]oxy-2-hydroxy-5-[5-[1-[(4-hydroxy-3-methoxyphenyl)methyl]cyclopentyl]-5-oxopent-3-enyl]phenyl]-2-methylguanidine
Structure
SMILES: CNCC1(OC2=CC(CCC=CC(=O)C3(CC4=CC=C(O)C(OC)=C4)CCCC3)=CC(NC(=N)NC)=C2O)CCC(CCOC2CCCCC2)C1
InChI: InChI=1S/C41H60N4O6/c1-43-28-41(21-17-29(27-41)18-22-50-32-12-5-4-6-13-32)51-36-24-30(23-33(38(36)48)45-39(42)44-2)11-7-8-14-37(47)40(19-9-10-20-40)26-31-15-16-34(46)35(25-31)49-3/h8,14-16,23-25,29,32,43,46,48H,4-7,9-13,17-22,26-28H2,1-3H3,(H3,42,44,45)
InChIKey: PQEOTIZLDZCVTD-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 704.9529999999996
TPSA？: 145.16
MolLogP？: 7.409970000000009
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 5
Activities Information
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