Integerrine
AlkaPlorer ID: AK319157
Synonym: None
IUPAC Name: 2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylbutanamide
Structure
SMILES: CC(C)C(C(O)=NC1C(O)=NC(CC2=CNC3=CC=CC=C23)C(O)=N/C=C\C2=CC=C(C=C2)OC1C1=CC=CC=C1)N(C)C
InChI: InChI=1S/C35H39N5O4/c1-22(2)31(40(3)4)35(43)39-30-32(24-10-6-5-7-11-24)44-26-16-14-23(15-17-26)18-19-36-33(41)29(38-34(30)42)20-25-21-37-28-13-9-8-12-27(25)28/h5-19,21-22,29-32,37H,20H2,1-4H3,(H,36,41)(H,38,42)(H,39,43)/b19-18-
InChIKey: BDHCXPWIDHVEQN-HNENSFHCSA-N
Source
Properties Information
Molecule Weight: 593.7280000000002
TPSA？: 126.03
MolLogP？: 6.707900000000006
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 6
Activities Information
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