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Compound Detail

CHEMBL4302385

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CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCCCCC[N+](C)(C)CC#CCOC1=NOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302385
Phase Preclinical
Structure Type MOL
InChI Key VACWJOCJOAHLID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

618.9
MW (Da)
6.10
ALogP
5
HBA
0
HBD
68.2
PSA (Ų)
0.10
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H54N4O4+2
MW 618.86
Aromatic Rings 2
Heavy Atoms 45
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine