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Compound Detail

CHEMBL3138761

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COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)=O)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3138761
Phase Preclinical
Structure Type MOL
InChI Key HDPKXGPZKXRUAV-ROUUACIJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

479.5
MW (Da)
3.30
ALogP
9
HBA
1
HBD
124.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N5O5
MW 479.54
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.52

Data from ChEMBL 36 via Core Engine