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Compound Detail

CHEMBL1191151

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CNc1nc(NC)nc(NCCCNCCCCCCCCCNCCCNc2nc(NC)nc(NC)n2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191151
Phase Preclinical
Structure Type MOL
InChI Key QSHJNVNKABGNKD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

546.8
MW (Da)
2.44
ALogP
14
HBA
8
HBD
173.6
PSA (Ų)
0.09
QED
3
Ro5 Violations
24
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H50N14
MW 546.77
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -0.27

Data from ChEMBL 36 via Core Engine