amuvatinib   Click here for help

GtoPdb Ligand ID: 7932

Synonyms: MP 470 | MP-470 | MP470
Compound class: Synthetic organic
Comment: Amuvatinib is an orally bioavailable, multitargeted receptor tyrosine kinase inhibitor. Some bioactivity data may be associated with the hydrochloride salt (PubChem CID 67254077).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 107.98
Molecular weight 447.14
XLogP 3.86
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES S=C(N1CCN(CC1)c1ncnc2c1oc1c2cccc1)NCc1ccc2c(c1)OCO2
Isomeric SMILES S=C(N1CCN(CC1)c1ncnc2c1oc1c2cccc1)NCc1ccc2c(c1)OCO2
InChI InChI=1S/C23H21N5O3S/c32-23(24-12-15-5-6-18-19(11-15)30-14-29-18)28-9-7-27(8-10-28)22-21-20(25-13-26-22)16-3-1-2-4-17(16)31-21/h1-6,11,13H,7-10,12,14H2,(H,24,32)
InChI Key FOFDIMHVKGYHRU-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(1,3-benzodioxol-5-ylmethyl)-4-([1]benzoxolo[2,3-e]pyrimidin-4-yl)piperazine-1-carbothioamide
International Nonproprietary Names Click here for help
INN number INN
9278 amuvatinib
Synonyms Click here for help
MP 470 | MP-470 | MP470
Database Links Click here for help
CAS Registry No. 850879-09-3
ChEMBL Ligand CHEMBL2103851
GtoPdb PubChem SID 249565615
PubChem CID 11282283
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