MK-6325

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Synonyms
Status
Molecule Category Free-form
UNII 59LD48P07K

Structure

InChI Key BLFKRFGLQFYXDF-WAZRELCSSA-N
Smiles COc1ccc2nc3c(nc2c1)O[C@@H]1C[C@H]2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4/C=C/CCCCC[C@H](NC(=O)O[C@@H]4CCC[C@H]4CCCCC3)C(=O)N2C1
InChI
InChI=1S/C42H56N6O9S/c1-41(20-21-41)58(53,54)47-39(51)42-24-27(42)14-8-4-3-5-9-16-32-38(50)48-25-29(23-34(48)36(49)46-42)56-37-31(43-30-19-18-28(55-2)22-33(30)44-37)15-10-6-7-12-26-13-11-17-35(26)57-40(52)45-32/h8,14,18-19,22,26-27,29,32,34-35H,3-7,9-13,15-17,20-21,23-25H2,1-2H3,(H,45,52)(H,46,49)(H,47,51)/b14-8+/t26-,27-,29-,32+,34+,35-,42-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C42H56N6O9S
Molecular Weight 821.01
AlogP 4.76
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 195.22
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 58.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL4297304
DrugBank DB15249
FDA SRS 59LD48P07K
PubChem 121596640
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