Ervine
AlkaPlorer ID: AK319956
Synonym: None
IUPAC Name: methyl (15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate
Structure
SMILES: COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCC4=C(NC5=CC=CC=C45)C3C[C@H]12
InChI: InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16-,19?/m0/s1
InChIKey: GRTOGORTSDXSFK-WADGIJBFSA-N
Source
Properties Information
Molecule Weight: 352.434
TPSA？: 54.56
MolLogP？: 3.1788000000000016
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
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