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Compound Detail

CHEMBL1195306

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CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN(C)C(c2ccccc2)C2CCCCC2)C1c1cccc([N+](=O)[O-])c1

Basic Information

ChEMBL ID CHEMBL1195306
Phase Preclinical
Structure Type MOL
InChI Key TWNAUTMQNPBBFJ-TVKQRKNISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

561.7
MW (Da)
6.64
ALogP
8
HBA
1
HBD
114.5
PSA (Ų)
0.15
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 C32H39N3O6
MW 561.68
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness -0.87

Data from ChEMBL 36 via Core Engine