9-Hydroxyisoascididemin; 9-Deoxy, 9-(methylamino)
AlkaPlorer ID: AK105284
Synonym: N-Methylisocystodamine
IUPAC Name: 6-(methylamino)-3,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9,11,13(21),14,16,18-decaen-8-one
Structure
SMILES: CNC1=CC=NC2=C1C(=O)C1=NC=CC3=C4C=CC=CC4=NC2=C13
InChI: InChI=1S/C19H12N4O/c1-20-13-7-9-21-16-15(13)19(24)18-14-11(6-8-22-18)10-4-2-3-5-12(10)23-17(14)16/h2-9H,1H3,(H,20,21)
InChIKey: GICIJIYWDOQJMT-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 312.3320000000001
TPSA？: 67.77000000000001
MolLogP？: 3.4311000000000016
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
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