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Compound Detail

CHEMBL1197042

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CCCCN1C(=O)[C@@H]([C@H](O)C(C)C)NC(=O)C12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197042
Phase Preclinical
Structure Type MOL
InChI Key WUTCDIFLPLKLBC-CLJLJLNGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

493.6
MW (Da)
3.96
ALogP
5
HBA
2
HBD
82.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H39N3O4
MW 493.65
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.21

Data from ChEMBL 36 via Core Engine