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Compound Detail

CHEMBL1194867

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COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)N4CCN(C)CC4)(c4cccnc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194867
Phase Preclinical
Structure Type MOL
InChI Key IVVCZKUEEUXLCC-QNGWXLTQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

724.7
MW (Da)
5.40
ALogP
8
HBA
0
HBD
87.7
PSA (Ų)
0.28
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 C38H47Cl2N5O5
MW 724.73
Aromatic Rings 3
Heavy Atoms 50
NP-Likeness -0.85

Data from ChEMBL 36 via Core Engine