APG115

Search structure
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 15QAU0SI9J

Structure
InChI Key YJCZPJQGFSSFOL-MNZPCBJKSA-N
Smile CCN1[C@@H](C(=O)NC23CCC(C(=O)O)(CC2)CC3)[C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)C12CCCCC2
InChI
InChI=1S/C34H38Cl2FN3O4/c1-2-40-27(28(41)39-32-16-13-31(14-17-32,15-18-32)30(43)44)25(21-7-6-8-23(36)26(21)37)34(33(40)11-4-3-5-12-33)22-10-9-20(35)19-24(22)38-29(34)42/h6-10,19,25,27H,2-5,11-18H2,1H3,(H,38,42)(H,39,41)(H,43,44)/t25-,27+,31?,32?,34+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H38Cl2FN3O4
Molecular Weight 642.6
AlogP 6.81
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 98.74
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 44.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4091801
FDA SRS 15QAU0SI9J
SureChEMBL SCHEMBL17189805
CONTENTS