AT-406

Search structure
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: N65WC8PXDD

Structure
InChI Key LSXUTRRVVSPWDZ-MKKUMYSQSA-N
Smile CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
InChI
InChI=1S/C32H43N5O4/c1-21(2)19-28(38)36-18-17-25-15-16-27(37(25)32(41)26(20-36)34-30(39)22(3)33-4)31(40)35-29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,21-22,25-27,29,33H,15-20H2,1-4H3,(H,34,39)(H,35,40)/t22-,25+,26-,27-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H43N5O4
Molecular Weight 561.73
AlogP 2.62
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 110.85
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 41.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2158051
DrugBank DB16305
EPA CompTox DTXSID50648496
FDA SRS N65WC8PXDD
Guide to Pharmacology 7729
PubChem 25022340
SureChEMBL SCHEMBL2724374
ZINC ZINC000043208643
CONTENTS