CR-6086

Search structure
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: SS2LQQ8094

Structure
InChI Key CADWTPLFEZSAHM-UHFFFAOYSA-N
Smile O=C(O)c1ccc(C2(NC(=O)C3CC4(CCN3Cc3ccc(C(F)(F)F)cc3)CC4)CC2)cc1
InChI
InChI=1S/C26H27F3N2O3/c27-26(28,29)20-5-1-17(2-6-20)16-31-14-13-24(9-10-24)15-21(31)22(32)30-25(11-12-25)19-7-3-18(4-8-19)23(33)34/h1-8,21H,9-16H2,(H,30,32)(H,33,34)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H27F3N2O3
Molecular Weight 472.51
AlogP 4.95
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 69.64
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 34.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3920982
DrugBank DB16111
FDA SRS SS2LQQ8094
PubChem 71186236
SureChEMBL SCHEMBL14486354
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