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Compound Detail

CHEMBL5498808

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O=C(N[C@@H]1CNCC[C@H]1c1ccc(Cl)cc1)c1cc2c(s1)OCCn1ncc(Br)c1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5498808
Phase Preclinical
Structure Type MOL
InChI Key PLHHYRVOBRSHCD-WMLDXEAASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

507.8
MW (Da)
4.30
ALogP
6
HBA
2
HBD
68.2
PSA (Ų)
0.55
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20BrClN4O2S
MW 507.84
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.85

Data from ChEMBL 36 via Core Engine