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Compound Detail

CHEMBL2220385

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N=C(N)NCCC[C@@H]1NC(=O)C[C@H]2NC(=O)[C@H](CNC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)N(Cc1ccc(CN)cc1)C2=O

Basic Information

ChEMBL ID CHEMBL2220385
Phase Preclinical
Structure Type MOL
InChI Key CTYFZHUXWOIDBN-OKYOBFRVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

630.7
MW (Da)
-4.32
ALogP
9
HBA
10
HBD
291.0
PSA (Ų)
0.05
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H38N10O8
MW 630.66
Aromatic Rings 1
Heavy Atoms 45
NP-Likeness 0.64

Data from ChEMBL 36 via Core Engine