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Compound Detail

CHEMBL2027912

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C=C[C@H]1C[N@+]2(Cc3cc(C(C)(C)C)c(OC)c(C(C)(C)C)c3)CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12

Basic Information

ChEMBL ID CHEMBL2027912
Phase Preclinical
Structure Type MOL
InChI Key UFLVISHTIIZQJD-NAZHGSEGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

527.8
MW (Da)
7.48
ALogP
3
HBA
1
HBD
42.4
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H47N2O2+
MW 527.77
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness 0.82

Data from ChEMBL 36 via Core Engine