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Compound Detail

CHEMBL3040015

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CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2

Basic Information

ChEMBL ID CHEMBL3040015
Phase Preclinical
Structure Type MOL
InChI Key KWVRUVRFGUYXOQ-GTDADLLQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

588.2
MW (Da)
2.67
ALogP
6
HBA
4
HBD
142.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H46ClN5O4
MW 588.19
Aromatic Rings 1
Heavy Atoms 41
NP-Likeness -0.28

Data from ChEMBL 36 via Core Engine