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Compound Detail

CHEMBL2027978

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CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12

Basic Information

ChEMBL ID CHEMBL2027978
Phase Preclinical
Structure Type MOL
InChI Key UESGIOZUTMALSQ-FNDKVILYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

809.0
MW (Da)
2.15
ALogP
13
HBA
8
HBD
250.0
PSA (Ų)
0.17
QED
3
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H64O15
MW 808.96
Aromatic Rings 0
Heavy Atoms 57
NP-Likeness 2.80

Data from ChEMBL 36 via Core Engine