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Compound Detail

CHEMBL1180814

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CC[N+](C)(CC)CCC(=O)Nc1ccc(NC(=O)CC[N+](C)(CC)CC)c2c1C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180814
Phase Preclinical
Structure Type MOL
InChI Key YPUQDLCGZNXTPD-UHFFFAOYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

522.7
MW (Da)
4.09
ALogP
4
HBA
2
HBD
92.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H42N4O4+2
MW 522.69
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.17

Data from ChEMBL 36 via Core Engine