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Compound Detail

CHEMBL111108

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O=C(NCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)N1CCN(CC2CCCCC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL111108
Phase Preclinical
Structure Type MOL
InChI Key CCDQSDMAALCDMU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
3.44
ALogP
6
HBA
3
HBD
106.6
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 C25H34N6O3
MW 466.59
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness -1.32

Data from ChEMBL 36 via Core Engine