KRN5500

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 8VH13L5K20

Structure

InChI Key LQIPDFIUPOYMPR-RMOMFDTOSA-N
Smiles CCCCCCCCC/C=C/C=C/C(=O)NCC(=O)N[C@@H]1C(O)[C@H](O)C(Nc2ncnc3[nH]cnc23)OC1[C@H](O)CO
InChI
InChI=1S/C28H43N7O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(38)29-14-20(39)34-21-23(40)24(41)28(42-25(21)18(37)15-36)35-27-22-26(31-16-30-22)32-17-33-27/h10-13,16-18,21,23-25,28,36-37,40-41H,2-9,14-15H2,1H3,(H,29,38)(H,34,39)(H2,30,31,32,33,35)/b11-10+,13-12+/t18-,21-,23?,24+,25?,28?/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H43N7O7
Molecular Weight 589.69
AlogP 0.42
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 8.0
Number of Rotational Bond 17.0
Polar Surface Area 214.84
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 42.0

Cross References

Resources Reference
ChEMBL CHEMBL2074765
FDA SRS 8VH13L5K20
CONTENTS