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Compound Detail

CHEMBL1207696

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Cc1cccc2c1C(O)=C1C(=O)C3C(O)=C(C(=O)NNC4(C(=O)O)CCCC4)C(=O)[C@@H](N(C)C)[C@@H]3C[C@@H]1C2(C)O

Basic Information

ChEMBL ID CHEMBL1207696
Phase Preclinical
Structure Type MOL
InChI Key IFVFIIXCVGQYPA-KZOYMVCMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

553.6
MW (Da)
1.65
ALogP
9
HBA
6
HBD
176.5
PSA (Ų)
0.23
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H35N3O8
MW 553.61
Aromatic Rings 1
Heavy Atoms 40
NP-Likeness 0.48

Data from ChEMBL 36 via Core Engine