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Compound Detail

CHEMBL113267

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O=C(NCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)N1CCN(CC2CCCCO2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL113267
Phase Preclinical
Structure Type MOL
InChI Key QSZPAHOPAKGLBY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
2.43
ALogP
7
HBA
3
HBD
115.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32N6O4
MW 468.56
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness -1.26

Data from ChEMBL 36 via Core Engine