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Compound Detail

CHEMBL1196714

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CC(C)(C)COC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(OCCc3ccc(Cl)c(Cl)c3)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196714
Phase Preclinical
Structure Type MOL
InChI Key PHDVQHYFNDKHCG-DEOSSOPVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

591.5
MW (Da)
6.04
ALogP
8
HBA
2
HBD
129.6
PSA (Ų)
0.17
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H36Cl2N4O5
MW 591.54
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine