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Compound Detail

CHEMBL1182334

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C/C=C/C[N+]12CC[C@@H]3[C@@H]4[C@@H]5[C@@H](OCC=C(C1)[C@@H]5C[C@@H]32)N1c2ccccc2[C@@]23CC[N+]5(C/C=C/C)CC6=CCO[C@H]([C@@H]([C@H]12)[C@H]6C[C@@H]35)N4c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182334
Phase Preclinical
Structure Type MOL
InChI Key YJZAFOHWUCTBKL-XZAPGCHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

697.0
MW (Da)
6.81
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.25
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C46H56N4O2+2
MW 696.98
Aromatic Rings 2
Heavy Atoms 52
NP-Likeness 1.36

Data from ChEMBL 36 via Core Engine