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Compound Detail

CHEMBL1179995

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CCC(C)NCCc1c2c(nc3cc4c(cc13)OCCO4)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1179995
Phase Preclinical
Structure Type MOL
InChI Key YXZZSYDSRRFGGT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

505.6
MW (Da)
2.78
ALogP
9
HBA
2
HBD
111.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31N3O6
MW 505.57
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness 0.49

Data from ChEMBL 36 via Core Engine