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Compound Detail

CHEMBL3545866

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C[C@H]1CCCC[C@@H]1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL3545866
Phase Preclinical
Structure Type MOL
InChI Key XFAWSTHURRVWFP-OHHYBTEJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

491.6
MW (Da)
4.49
ALogP
4
HBA
4
HBD
103.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H37N3O4
MW 491.63
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness 0.08

Data from ChEMBL 36 via Core Engine