NEZULCITINIB

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII CXA4I8AH6A

Structure

InChI Key VQIIUJSNIKEMCK-MHZLTWQESA-N
Smiles CCc1cc(O)ccc1-c1ccc2c(-c3nc4c([nH]3)C[C@@H](C(=O)N3CC(N(C)C)C3)N(C(C)C)C4)n[nH]c2c1
InChI
InChI=1S/C30H37N7O2/c1-6-18-11-21(38)8-10-22(18)19-7-9-23-24(12-19)33-34-28(23)29-31-25-13-27(37(17(2)3)16-26(25)32-29)30(39)36-14-20(15-36)35(4)5/h7-12,17,20,27,38H,6,13-16H2,1-5H3,(H,31,32)(H,33,34)/t27-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H37N7O2
Molecular Weight 527.67
AlogP 3.8
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 104.38
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 39.0

Cross References

Resources Reference
ChEMBL CHEMBL4802163
FDA SRS CXA4I8AH6A
CONTENTS