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Compound Detail

CHEMBL1180813

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C[N+]1(CCC(=O)Nc2cccc3c2C(=O)c2c(NC(=O)CC[N+]4(C)CCCC4)cccc2C3=O)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180813
Phase Preclinical
Structure Type MOL
InChI Key YVMMQULVNUONBU-UHFFFAOYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

518.7
MW (Da)
3.60
ALogP
4
HBA
2
HBD
92.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H38N4O4+2
MW 518.66
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.12

Data from ChEMBL 36 via Core Engine