AMG-900   Click here for help

GtoPdb Ligand ID: 8060

Synonyms: AMG 900 | AMG900
Compound class: Synthetic organic
Comment: AMG-900 is a potent and selective pan-aurora kinase inhibitor [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 139.97
Molecular weight 503.15
XLogP 5.02
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Cc1csc(c1)c1nnc(c2c1cccc2)Nc1ccc(cc1)Oc1ncccc1c1ccnc(n1)N
Isomeric SMILES Cc1csc(c1)c1nnc(c2c1cccc2)Nc1ccc(cc1)Oc1ncccc1c1ccnc(n1)N
InChI InChI=1S/C28H21N7OS/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23/h2-16H,1H3,(H,32,35)(H2,29,31,33)
InChI Key IVUGFMLRJOCGAS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[4-[3-(2-aminopyrimidin-4-yl)pyridin-2-yl]oxyphenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine
Synonyms Click here for help
AMG 900 | AMG900
Database Links Click here for help
CAS Registry No. 945595-80-2
ChEMBL Ligand CHEMBL2140408
GtoPdb PubChem SID 249565740
PubChem CID 24856041
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