(15Z,26Z)-11-ethyl-31-({3-[2-(hexyloxy)-2-hydroxyethyl]-1-[(methylamino)methyl]cyclopentyl}oxy)-30-hydroxy-18-[(4-hydroxy-3-methoxyphenyl)methyl]-27-(methylamino)-26,28-diazahexacyclo[27.3.1.0²,?.0²,¹?.0?,¹³.0¹?,²²]tritriaconta-1(33),15,26,29,31-pentaen-24-yn-17-one
AlkaPlorer ID: AK448769
Synonym: None
IUPAC Name: 11-ethyl-31-[3-(2-hexoxy-2-hydroxyethyl)-1-(methylaminomethyl)cyclopentyl]oxy-30-hydroxy-18-[(4-hydroxy-3-methoxyphenyl)methyl]-27-methylimino-26,28-diazahexacyclo[27.3.1.02,6.02,14.08,13.018,22]tritriaconta-1(33),15,29,31-tetraen-24-yn-17-one
Structure
SMILES: CCCCCCOC(O)CC1CCC(CNC)(OC2=CC3=CC(=C2O)NC(NC)=NC#CCC2CCCC2(CC2=CC=C(O)C(OC)=C2)C(=O)C=CC2C4CC(CC)CCC4CC4CCCC342)C1
InChI: InChI=1S/C57H82N4O7/c1-6-8-9-10-28-67-52(64)31-40-23-26-55(35-40,37-58-3)68-50-34-44-33-47(53(50)65)61-54(59-4)60-27-13-16-42-14-11-24-56(42,36-39-18-21-48(62)49(30-39)66-5)51(63)22-20-46-45-29-38(7-2)17-19-41(45)32-43-15-12-25-57(43,44)46/h18,20-22,30,33-34,38,40-43,45-46,52,58,62,64-65H,6-12,14-17,19,23-26,28-29,31-32,35-37H2,1-5H3,(H2,59,60,61)
InChIKey: LSNQKAQSMXNABE-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 935.3039999999996
TPSA？: 153.9
MolLogP？: 10.555599999999997
Number of H-Donors: 6
Number of H-Acceptors: 11
RingCount: 8
Activities Information
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