WYE-354   Click here for help

GtoPdb Ligand ID: 9361

Synonyms: WYE354
Compound class: Synthetic organic
Comment: WYE-354 is a pyrazolopyrimidine ATP-competitive mTOR inhibitor tool compound [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 11
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 123.94
Molecular weight 495.22
XLogP 2.85
No. Lipinski's rules broken 1
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Canonical SMILES COC(=O)Nc1ccc(cc1)c1nc(N2CCOCC2)c2c(n1)n(nc2)C1CCN(CC1)C(=O)OC
Isomeric SMILES COC(=O)Nc1ccc(cc1)c1nc(N2CCOCC2)c2c(n1)n(nc2)C1CCN(CC1)C(=O)OC
InChI InChI=1S/C24H29N7O5/c1-34-23(32)26-17-5-3-16(4-6-17)20-27-21(29-11-13-36-14-12-29)19-15-25-31(22(19)28-20)18-7-9-30(10-8-18)24(33)35-2/h3-6,15,18H,7-14H2,1-2H3,(H,26,32)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
methyl 4-[6-[4-(methoxycarbonylamino)phenyl]-4-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
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Database Links Click here for help
BindingDB Ligand 35587
CAS Registry No. 1062169-56-5 (source: PubChem)
ChEMBL Ligand CHEMBL561708
GtoPdb PubChem SID 328083463
PubChem CID 44219749
Search Google for chemical match using the InChIKey IMXHGCRIEAKIBU-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey IMXHGCRIEAKIBU-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey IMXHGCRIEAKIBU-UHFFFAOYSA-N