methyl 18-hydroxy-3,13-diazapentacyclo[11.8.0.0²,¹?.0?,?.0¹?,²?]henicosa-2(10),4,6,8-tetraene-20-carboxylate
AlkaPlorer ID: AK320378
Synonym: None
IUPAC Name: methyl 18-hydroxy-3,11,12,14,15,16,17,18,19,21-decahydro-1H-yohimban-20-carboxylate
Structure
SMILES: COC(=O)C12CC(O)CCC1CN1CCC3=C(NC4=CC=CC=C34)C1C2
InChI: InChI=1S/C21H26N2O3/c1-26-20(25)21-10-14(24)7-6-13(21)12-23-9-8-16-15-4-2-3-5-17(15)22-19(16)18(23)11-21/h2-5,13-14,18,22,24H,6-12H2,1H3
InChIKey: DJYUVQHOELNJST-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 354.45000000000005
TPSA？: 65.56
MolLogP？: 2.791200000000001
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
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