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Compound Detail

CHEMBL1185941

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CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCCc2ccccc2)C1=O

Basic Information

ChEMBL ID CHEMBL1185941
Phase Preclinical
Structure Type MOL
InChI Key BZBKOTKAPXOMFC-RSXGOPAZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

489.6
MW (Da)
2.41
ALogP
4
HBA
4
HBD
120.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H35N5O3
MW 489.62
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.12

Data from ChEMBL 36 via Core Engine