ABT702   Click here for help

GtoPdb Ligand ID: 5131

Synonyms: ABT 702 | ABT-702
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 90.05
Molecular weight 462.08
XLogP 4.13
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Brc1cccc(c1)c1cc(nc2c1c(N)ncn2)c1ccc(nc1)N1CCOCC1
Isomeric SMILES Brc1cccc(c1)c1cc(nc2c1c(N)ncn2)c1ccc(nc1)N1CCOCC1
InChI InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
InChI Key RQCXKDWOCUJWQZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-(3-bromophenyl)-7-[6-(morpholin-4-yl)pyridin-3-yl]pyrido[2,3-d]pyrimidin-4-amine
Synonyms Click here for help
ABT 702 | ABT-702
Database Links Click here for help
CAS Registry No. 214697-26-4
ChEMBL Ligand CHEMBL66089
GtoPdb PubChem SID 178101823
PubChem CID 1973
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