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Compound Detail

CHEMBL1190221

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CCCCn1c(=O)c(NC(=O)Nc2c(C(C)C)cc(N)cc2C(C)C)c(-c2cccc(OCCCN3CCCCC3)c2)c2cccnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190221
Phase Preclinical
Structure Type MOL
InChI Key QLAUYHIXNHXMQK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

652.9
MW (Da)
8.59
ALogP
7
HBA
3
HBD
114.5
PSA (Ų)
0.10
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H52N6O3
MW 652.88
Aromatic Rings 4
Heavy Atoms 48
NP-Likeness -0.96

Data from ChEMBL 36 via Core Engine