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Compound Detail

CHEMBL2079095

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CC(C)N(CCNCCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)C(C)C

Basic Information

ChEMBL ID CHEMBL2079095
Phase Preclinical
Structure Type MOL
InChI Key VXIZVJOTEZEHMX-HSLKOAHSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
3.92
ALogP
7
HBA
1
HBD
61.4
PSA (Ų)
0.42
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 C25H46N2O5
MW 454.65
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 1.98

Data from ChEMBL 36 via Core Engine