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Compound Detail

CHEMBL4299803

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CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@H](NC(=O)c3c(Cl)cccc3Cl)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C

Basic Information

ChEMBL ID CHEMBL4299803
Phase Preclinical
Structure Type MOL
InChI Key VXJZQAGAQXZHQS-KHLOOGFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

923.0
MW (Da)
8.93
ALogP
10
HBA
4
HBD
170.1
PSA (Ų)
0.13
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C49H73Cl2NO11
MW 923.02
Aromatic Rings 1
Heavy Atoms 63
NP-Likeness 1.57

Data from ChEMBL 36 via Core Engine