onatasertib   Click here for help

GtoPdb Ligand ID: 8914

Synonyms: CC-223 | CC223 | compound 37 [PMID: 26083478]
Compound class: Synthetic organic
Comment: Onatasertib (CC-223) is an investigational inhibitor of the serine/threonine kinase, mechanistic target of rapamycin (mTOR) in mTORC1/2 complexes [1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 100.47
Molecular weight 397.21
XLogP 1.7
No. Lipinski's rules broken 0
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Canonical SMILES COC1CCC(CC1)N1C(=O)CNc2c1nc(cn2)c1ccc(nc1)C(O)(C)C
Isomeric SMILES COC1CCC(CC1)N1C(=O)CNc2c1nc(cn2)c1ccc(nc1)C(O)(C)C
InChI InChI=1S/C21H27N5O3/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
11237 onatasertib
Synonyms Click here for help
CC-223 | CC223 | compound 37 [PMID: 26083478]
Database Links Click here for help
GtoPdb PubChem SID 310264695
PubChem CID 58298316
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