DM-1451   

GtoPdb Ligand ID: 267

Synonyms: DM 1451
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 65.04
Molecular weight 463.14
XLogP 4.21
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1ccc(c(c1Cl)Cl)O
Isomeric SMILES O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1ccc(c(c1Cl)Cl)O
InChI InChI=1S/C23H27Cl2N3O3/c24-22-19(6-7-20(29)23(22)25)28-12-10-27(11-13-28)9-1-2-14-31-17-5-3-16-4-8-21(30)26-18(16)15-17/h3,5-7,15,29H,1-2,4,8-14H2,(H,26,30)
InChI Key YZIVLADPQQPFLO-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
7-[4-[4-(2,3-dichloro-4-hydroxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
Synonyms
DM 1451
Database Links
CAS Registry No. 173456-49-0 (source: Scifinder)
GtoPdb PubChem SID 135650196
PubChem CID 9847259
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