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Compound Detail

CHEMBL1195138

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CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OC(C)CN(C)CC2COc3ccccc3O2)C1c1cccc([N+](=O)[O-])c1

Basic Information

ChEMBL ID CHEMBL1195138
Phase Preclinical
Structure Type MOL
InChI Key AQJFPGACBHLIGF-AZPGRJICSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

551.6
MW (Da)
4.55
ALogP
10
HBA
1
HBD
133.0
PSA (Ų)
0.21
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33N3O8
MW 551.60
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -0.94

Data from ChEMBL 36 via Core Engine