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Compound Detail

CHEMBL1186583

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CC(C)Sc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186583
Phase Preclinical
Structure Type MOL
InChI Key HXFKZSVPCHUKBX-VWLOTQADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

512.7
MW (Da)
4.41
ALogP
6
HBA
3
HBD
95.5
PSA (Ų)
0.26
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N2O4S2
MW 512.70
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.72

Data from ChEMBL 36 via Core Engine