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Compound Detail

CHEMBL1200081

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N=C(N)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](NS(=O)(=O)Cc2ccccc2)C(c2ccccc2)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1200081
Phase Preclinical
Structure Type MOL
InChI Key QFUJUIZFTCKRON-XDFJSJKPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

623.8
MW (Da)
3.90
ALogP
5
HBA
4
HBD
145.4
PSA (Ų)
0.14
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H37N5O4S
MW 623.78
Aromatic Rings 4
Heavy Atoms 45
NP-Likeness -0.74

Data from ChEMBL 36 via Core Engine