DS-7423   Click here for help

GtoPdb Ligand ID: 12616

Synonyms: DS7423
Compound class: Synthetic organic
Comment: DS-7423 is an orally bioavailable PI3K/mTOR inhibitor [1]. It was developed for anti-tumour potential.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 12
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 127.08
Molecular weight 520.51
XLogP 0.83
No. Lipinski's rules broken 2
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Canonical SMILES C[C@@H]1CN(CCN1C(=O)C)C2=NC3=C(N=C(C4=CN=C(N)N=C4)N=C3N5CCOCC5)N2CC(F)(F)F
Isomeric SMILES C[C@@H]1CN(CCN1C(=O)C)C2=NC3=C(N2CC(F)(F)F)N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N
InChI InChI=1S/C22H27F3N10O2/c1-13-11-33(3-4-34(13)14(2)36)21-29-16-18(32-5-7-37-8-6-32)30-17(15-9-27-20(26)28-10-15)31-19(16)35(21)12-22(23,24)25/h9-10,13H,3-8,11-12H2,1-2H3,(H2,26,27,28)/t13-/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
Database Links Click here for help
GtoPdb PubChem SID 479821406
PubChem CID 45378170
Search Google for chemical match using the InChIKey SOJJMSYMCLIQCZ-CYBMUJFWSA-N
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UniChem Connectivity Search for chemical match using the InChIKey SOJJMSYMCLIQCZ-CYBMUJFWSA-N