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Compound Detail

CHEMBL3614105

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CN(C(=O)c1ccccc1)[C@H]1C[C@@]23CCN(CC4CC4)[C@H]4C=C[C@@H]1C[C@]42Cc1ccc(O)cc13

Basic Information

ChEMBL ID CHEMBL3614105
Phase Preclinical
Structure Type MOL
InChI Key PHTMTRHOQDSCOB-YPJSVLOBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
4.78
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H34N2O2
MW 454.61
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 0.63

Data from ChEMBL 36 via Core Engine