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Compound Detail

CHEMBL1852851

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CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)[n+]6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

Basic Information

ChEMBL ID CHEMBL1852851
Phase Preclinical
Structure Type MOL
InChI Key JNYDCKVFXUZLEV-ZVAGFZNZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

652.9
MW (Da)
9.87
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.19
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C43H58NO4+
MW 652.94
Aromatic Rings 2
Heavy Atoms 48
NP-Likeness 2.08

Data from ChEMBL 36 via Core Engine