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Compound Detail

CHEMBL1196845

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COC(=O)c1c(C)[nH]c2c1C1C(=CC2OC(=O)N2CCN(C)CC2)N(C(=O)/C=C/c2ccc(OC)c(N(C)C)c2)C[C@H]1CBr

Basic Information

ChEMBL ID CHEMBL1196845
Phase Preclinical
Structure Type MOL
InChI Key PLCYPHGPJAYKLI-HRCVNAEUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

670.6
MW (Da)
4.16
ALogP
8
HBA
1
HBD
107.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H40BrN5O6
MW 670.61
Aromatic Rings 2
Heavy Atoms 44
NP-Likeness -0.25

Data from ChEMBL 36 via Core Engine