AGANEPAG ISOPROPYL

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Synonyms
Status
Molecule Category Free-form
UNII R096XE6760

Structure

InChI Key GKRBCKDGBDUAIQ-URXFXBBRSA-N
Smiles CCCCC[C@H](O)c1ccc(N2C(=O)CC[C@@H]2CCCc2ccc(C(=O)OC(C)C)s2)cc1
InChI
InChI=1S/C27H37NO4S/c1-4-5-6-10-24(29)20-11-13-22(14-12-20)28-21(15-18-26(28)30)8-7-9-23-16-17-25(33-23)27(31)32-19(2)3/h11-14,16-17,19,21,24,29H,4-10,15,18H2,1-3H3/t21-,24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H37NO4S
Molecular Weight 471.66
AlogP 6.45
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 66.84
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 33.0

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL2105714
DrugBank DB16085
FDA SRS R096XE6760
PubChem 46928007
SureChEMBL SCHEMBL1398244
ZINC ZINC000084759270
CONTENTS