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Compound Detail

CHEMBL4598243

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NCCCCNC(=O)[C@@H]1Cc2ccc(cc2)NC(=O)CCN2CCN(CCC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)NC3CCCCC3)C(=O)N1)CC2

Basic Information

ChEMBL ID CHEMBL4598243
Phase Preclinical
Structure Type MOL
InChI Key ZOYLSLGXOJVQQA-SZAHLOSFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

768.0
MW (Da)
1.23
ALogP
9
HBA
7
HBD
207.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H57N9O6S
MW 768.00
Aromatic Rings 2
Heavy Atoms 54
NP-Likeness 0.03

Data from ChEMBL 36 via Core Engine