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Compound Detail

CHEMBL1182269

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CC[N+](C)(CC)CCOc1ccc(C(=O)N2C/C(=C\c3ccccc3)C(=O)/C(=C/c3ccccc3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182269
Phase Preclinical
Structure Type MOL
InChI Key XJZLVKKWJATBJQ-KBWMUOTDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

509.7
MW (Da)
5.74
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.27
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H37N2O3+
MW 509.67
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.41

Data from ChEMBL 36 via Core Engine