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Compound Detail

CHEMBL2092864

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CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1

Basic Information

ChEMBL ID CHEMBL2092864
Phase Preclinical
Structure Type MOL
InChI Key NLXASJVETPACMT-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

451.6
MW (Da)
4.51
ALogP
4
HBA
1
HBD
73.5
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 C27H37N3O3
MW 451.61
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine