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Compound Detail

CHEMBL1195465

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COc1cc2cc(CO)nc(-c3ccnc(-n4nc(-c5cccs5)c5ccccc5c4=O)c3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195465
Phase Preclinical
Structure Type MOL
InChI Key YXWJKHHWHLVVOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

522.6
MW (Da)
5.23
ALogP
9
HBA
1
HBD
99.4
PSA (Ų)
0.32
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H22N4O4S
MW 522.59
Aromatic Rings 6
Heavy Atoms 38
NP-Likeness -0.90

Data from ChEMBL 36 via Core Engine