Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 7R9A5P7H32

Structure

InChI Key LIENCHBZNNMNKG-OJFNHCPVSA-N
Smile CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C
InChI
InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H32F3N5O4
Molecular Weight 499.53
AlogP 1.1
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 131.4
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 35.0

Cross References

Resources Reference
ChEMBL CHEMBL4802135
FDA SRS 7R9A5P7H32