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Compound Detail

CHEMBL22969

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CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1

Basic Information

ChEMBL ID CHEMBL22969
Phase Preclinical
Structure Type MOL
InChI Key JXLYSJRDGCGARV-XQKSVPLYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

811.0
MW (Da)
3.99
ALogP
12
HBA
3
HBD
154.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C46H58N4O9
MW 810.99
Aromatic Rings 3
Heavy Atoms 59
NP-Likeness 1.53

Data from ChEMBL 36 via Core Engine