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Compound Detail

CHEMBL5499150

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COc1ccc(/C=C/C2=NN(CCCCN)C(=O)N(Cc3ccc(-c4ccccc4)cc3)c3cc(C(=O)NCc4ccccc4)ccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5499150
Phase Preclinical
Structure Type MOL
InChI Key RKHRDZHXAGMHTC-XIEYBQDHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

663.8
MW (Da)
7.89
ALogP
5
HBA
2
HBD
100.3
PSA (Ų)
0.13
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H41N5O3
MW 663.82
Aromatic Rings 5
Heavy Atoms 50
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine