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Compound Detail

CHEMBL5028653

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CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](CCNC(=N)N)NCCN1CCN(C(=O)CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)CC1

Basic Information

ChEMBL ID CHEMBL5028653
Phase Preclinical
Structure Type MOL
InChI Key XOXNJDMETJGQDS-IRJOAOCJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

902.1
MW (Da)
0.17
ALogP
12
HBA
9
HBD
280.5
PSA (Ų)
0.06
QED
3
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C45H67N13O7
MW 902.11
Aromatic Rings 2
Heavy Atoms 65
NP-Likeness -0.39

Data from ChEMBL 36 via Core Engine