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Compound Detail

CHEMBL448620

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COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1

Basic Information

ChEMBL ID CHEMBL448620
Phase Preclinical
Structure Type MOL
InChI Key FIIXCJGBCCCOQQ-UHFFFAOYSA-N

Known Names

SNAP-5089
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
1
Known Names

Molecular Properties

608.7
MW (Da)
5.59
ALogP
7
HBA
2
HBD
113.8
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H40N4O5
MW 608.74
Aromatic Rings 3
Heavy Atoms 45
NP-Likeness -0.76

Data from ChEMBL 36 via Core Engine