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Compound Detail

CHEMBL4117031

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O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(OC(=O)C1CCCCC1)S(=O)(=O)O)OCc1cccc(Cl)c1

Basic Information

ChEMBL ID CHEMBL4117031
Phase Preclinical
Structure Type MOL
InChI Key NAFPNCLELXJWOE-RONFKAAUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

670.2
MW (Da)
4.25
ALogP
8
HBA
4
HBD
177.2
PSA (Ų)
0.18
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H44ClN3O9S
MW 670.22
Aromatic Rings 1
Heavy Atoms 45
NP-Likeness -0.10

Data from ChEMBL 36 via Core Engine