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Compound Detail

CHEMBL2021628

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CC1=CC2Cc3nc4cc(Cl)ccc4c(NCCCCCCCCCNc4c5c(nc6ccccc46)CCCC5)c3C(C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2021628
Phase Preclinical
Structure Type MOL
InChI Key PHMROSHDKYSTRK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

607.3
MW (Da)
10.57
ALogP
4
HBA
2
HBD
49.8
PSA (Ų)
0.12
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H47ClN4
MW 607.29
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -0.22

Data from ChEMBL 36 via Core Engine