L-765314   

GtoPdb Ligand ID: 506

Synonyms: L-765,314
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 132.14
Molecular weight 522.26
XLogP 3.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COc1cc2nc(nc(c2cc1OC)N)N1CCN(C(C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1
Isomeric SMILES COc1cc2nc(nc(c2cc1OC)N)N1CCN([C@@H](C1)C(=O)NC(C)(C)C)C(=O)OCc1ccccc1
InChI InChI=1S/C27H34N6O5/c1-27(2,3)31-24(34)20-15-32(11-12-33(20)26(35)38-16-17-9-7-6-8-10-17)25-29-19-14-22(37-5)21(36-4)13-18(19)23(28)30-25/h6-10,13-14,20H,11-12,15-16H2,1-5H3,(H,31,34)(H2,28,29,30)/t20-/m0/s1
InChI Key CGWOIDCAGBKOQL-FQEVSTJZSA-N
Classification
Compound class Synthetic organic
IUPAC Name
phenylmethyl (2S)-4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-2-(tert-butylcarbamoyl)piperazine-1-carboxylate
Synonyms
L-765,314
Database Links
BindingDB Ligand 50063907
CAS Registry No. 189349-50-6 (source: Scifinder)
ChEMBL Ligand CHEMBL19476
GtoPdb PubChem SID 135650492
PubChem CID 6603904
Search Google for chemical match using the InChIKey CGWOIDCAGBKOQL-FQEVSTJZSA-N
Search Google for chemicals with the same backbone CGWOIDCAGBKOQL
Search UniChem for chemical match using the InChIKey CGWOIDCAGBKOQL-FQEVSTJZSA-N
Search UniChem for chemicals with the same backbone CGWOIDCAGBKOQL
Wikipedia L-765,314