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Compound Detail

CHEMBL2368827

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Cc1cccc2c1OP(=O)(OC[C@H]1O[C@@H](n3cc(/C=C/Br)c(=O)[nH]c3=O)C[C@@H]1OC(=O)[C@H](N)C(C)C)OC2

Basic Information

ChEMBL ID CHEMBL2368827
Phase Preclinical
Structure Type MOL
InChI Key NPYWCCNPPLUOGS-HUUZTOGXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

614.4
MW (Da)
3.13
ALogP
11
HBA
2
HBD
161.2
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29BrN3O9P
MW 614.39
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness 0.58

Data from ChEMBL 36 via Core Engine