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Compound Detail

CHEMBL3558742

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COC1=CC(=O)N(C(=O)/C=C/[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C)[C@H]1Cc1ccc(O)cc1

Basic Information

ChEMBL ID CHEMBL3558742
Phase Preclinical
Structure Type MOL
InChI Key XSADKPNQNYOYQO-JVTILXPNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

669.9
MW (Da)
2.91
ALogP
8
HBA
4
HBD
157.4
PSA (Ų)
0.18
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H55N5O7
MW 669.86
Aromatic Rings 1
Heavy Atoms 48
NP-Likeness 0.71

Data from ChEMBL 36 via Core Engine