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Compound Detail

CHEMBL4596793

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N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN3CCN(CCC(=O)Nc4ccc(cc4)C[C@@H](NS(=O)(=O)NC4CCCCC4)C(=O)N2)CC3)cc1

Basic Information

ChEMBL ID CHEMBL4596793
Phase Preclinical
Structure Type MOL
InChI Key HGZHCKIUQIEHRY-PQQNNWGCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

829.0
MW (Da)
1.97
ALogP
9
HBA
8
HBD
230.9
PSA (Ų)
0.12
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H56N10O6S
MW 829.04
Aromatic Rings 3
Heavy Atoms 59
NP-Likeness -0.08

Data from ChEMBL 36 via Core Engine