NAQUOTINIB MESYLATE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 12T09LV21O

Structure
InChI Key ALDUQYYVQWGTMR-GJFSDDNBSA-N
Smile C=CC(=O)N1CC[C@@H](Oc2nc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3)c(C(N)=O)nc2CC)C1.CS(=O)(=O)O
InChI
InChI=1S/C30H42N8O3.CH4O3S/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37;1-5(2,3)4/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34);1H3,(H,2,3,4)/t24-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H46N8O6S
Molecular Weight 658.83
AlogP 2.26
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 120.16
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 41.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Non-Small-Cell Lung 3 D002289 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3707350
FDA SRS 12T09LV21O
PubChem 92135932
SureChEMBL SCHEMBL18687011
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