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Compound Detail

CHEMBL321001

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O=C(NCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)N1CCN(Cc2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL321001
Phase Preclinical
Structure Type MOL
InChI Key USXRHYYORCXRFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

495.0
MW (Da)
3.72
ALogP
6
HBA
3
HBD
106.6
PSA (Ų)
0.34
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 C25H27ClN6O3
MW 494.98
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -1.52

Data from ChEMBL 36 via Core Engine