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Compound Detail

CHEMBL2110003

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CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N1[C@@H](C(=O)O)C[C@@H]2CCCC[C@@H]21

Basic Information

ChEMBL ID CHEMBL2110003
Phase Preclinical
Structure Type MOL
InChI Key VXFJYXUZANRPDJ-OHEMXVPPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.6
MW (Da)
2.77
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H34N2O5
MW 430.55
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 0.10

Data from ChEMBL 36 via Core Engine