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Compound Detail

CHEMBL2220500

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CC(=O)O[C@H]1[C@@H]([N+]2(C)CCOCC2)C[C@H]2[C@@H]3CC[C@H]4C[C@@H]([N+](C)(C)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C

Basic Information

ChEMBL ID CHEMBL2220500
Phase Preclinical
Structure Type MOL
InChI Key ZBPAKQKKCNWMKO-REMSNAQLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

538.8
MW (Da)
6.05
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.35
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 C34H54N2O3+2
MW 538.82
Aromatic Rings 1
Heavy Atoms 39
NP-Likeness 1.22

Data from ChEMBL 36 via Core Engine