MOBOCERTINIB SUCCINATE

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Synonyms
Status
Molecule Category Salt-form
UNII 53QIA92ZEE

Structure

InChI Key YXYAEUMTJQGKHS-UHFFFAOYSA-N
Smiles C=CC(=O)Nc1cc(Nc2ncc(C(=O)OC(C)C)c(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C.O=C(O)CCC(=O)O
InChI
InChI=1S/C32H39N7O4.C4H6O4/c1-9-29(40)34-24-16-25(28(42-8)17-27(24)38(6)15-14-37(4)5)35-32-33-18-22(31(41)43-20(2)3)30(36-32)23-19-39(7)26-13-11-10-12-21(23)26;5-3(6)1-2-4(7)8/h9-13,16-20H,1,14-15H2,2-8H3,(H,34,40)(H,33,35,36);1-2H2,(H,5,6)(H,7,8)

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H45N7O8
Molecular Weight 703.8
AlogP 5.08
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 113.85
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 43.0

Cross References

Resources Reference
ChEMBL CHEMBL4802239
FDA SRS 53QIA92ZEE
CONTENTS