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Compound Detail

CHEMBL1196944

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CCCCn1c(=O)c(NC(=O)Nc2c(C(C)C)cc(CN)cc2C(C)C)c(-c2cccc(OC)c2)c2cccnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196944
Phase Preclinical
Structure Type MOL
InChI Key IQBCOFZKZZIYFL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

555.7
MW (Da)
7.22
ALogP
6
HBA
3
HBD
111.3
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H41N5O3
MW 555.72
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.70

Data from ChEMBL 36 via Core Engine