BQ 788

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6MB0YNA8DJ

Structure
InChI Key LPAHKJMGDSJDRG-DJYQTOCQSA-N
Smile CCCC[C@@H](NC(=O)[C@@H](Cc1cn(C(=O)OC)c2ccccc12)NC(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(=O)O
InChI
InChI=1S/C34H51N5O7/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43)/t21-,22+,25-,26-,27+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H51N5O7
Molecular Weight 641.81
AlogP 4.82
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 12.0
Polar Surface Area 159.07
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 46.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cardiovascular Diseases 1 D002318 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL1741040
FDA SRS 6MB0YNA8DJ
SureChEMBL SCHEMBL14951910
ZINC ZINC000014276855
CONTENTS