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Compound Detail

CHEMBL1739833

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CCN(C[C@H]1N[C@@](CC)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)C(=O)c1ccc(C(C)(C)C)cc1

Basic Information

ChEMBL ID CHEMBL1739833
Phase Preclinical
Structure Type MOL
InChI Key IDZHNJIINBGJCO-XDAUYTPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

533.7
MW (Da)
3.54
ALogP
6
HBA
1
HBD
96.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H39N3O5
MW 533.67
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -0.78

Data from ChEMBL 36 via Core Engine