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Compound Detail

CHEMBL1195736

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CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1OCC[N+](CC)(CC)CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195736
Phase Preclinical
Structure Type MOL
InChI Key SIRDYHJXMICQFA-UHFFFAOYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

897.7
MW (Da)
8.97
ALogP
7
HBA
3
HBD
110.8
PSA (Ų)
0.03
QED
2
Ro5 Violations
30
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C50H83ClN7O5+3
MW 897.71
Aromatic Rings 3
Heavy Atoms 63
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine