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Compound Detail

CHEMBL2365530

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N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3cccc(c3)NC(=O)CCN3CCN(CCC(=O)Nc4ccc(cc4)C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)CC3)cc1

Basic Information

ChEMBL ID CHEMBL2365530
Phase Preclinical
Structure Type MOL
InChI Key DOEPKHLCEFPBEX-QPPIDDCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

822.0
MW (Da)
2.33
ALogP
9
HBA
7
HBD
218.9
PSA (Ų)
0.10
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C43H51N9O6S
MW 822.00
Aromatic Rings 4
Heavy Atoms 59
NP-Likeness 0.01

Data from ChEMBL 36 via Core Engine