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Name | 3-{2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl}-4(3H)-quinazolinone |
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Molecular formula | C22H22N4O4 |
IUPAC name | 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one |
Molecular weight | 406.442 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 1.5 |
Synonyms | MCULE-1529952006 757199-20-5 SMR000153193 3-(2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-oxoethyl)quinazolin-4(3H)-one AKOS001361207 [ Show all ] |
Inchi Key | IRTKIYUNXYEDTQ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C22H22N4O4/c27-21(13-26-14-23-18-4-2-1-3-17(18)22(26)28)25-9-7-24(8-10-25)12-16-5-6-19-20(11-16)30-15-29-19/h1-6,11,14H,7-10,12-13,15H2 |
PubChem CID | 2079950 |
ChEMBL | CHEMBL1407261 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
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140351 | 5-hydroxytryptamine receptor 2A | P35363 | Htr2a | Mus musculus (Mouse) | 471 |
140350 | Mu-type opioid receptor | P35372 | OPRM1 | Homo sapiens (Human) | 400 |
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