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Compound Detail

CHEMBL4598140

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N#C/N=C(\N)N(CCCCN1CCN(CCCCCCCOc2ccccc2)CC1)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4598140
Phase Preclinical
Structure Type MOL
InChI Key BNLJZGQHRGMCFM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

504.7
MW (Da)
4.71
ALogP
5
HBA
1
HBD
81.1
PSA (Ų)
0.15
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H44N6O
MW 504.72
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.97

Data from ChEMBL 36 via Core Engine