General Information of the Compound
| Compound ID |
CP0205005
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| Compound Name |
3-azepan-1-yl-9-dimethylamino-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one
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| Synonyms |
3-(azepan-1-yl)-9-(dimethylamino)pyrido[1,2]thieno[3,4-d]pyrimidin-4-one
3-(azepan-1-yl)-9-(dimethylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
869802-58-4
A 841720
A-440
A-841720
AKOS024457407
B7258
BDBM50177080
CHEMBL386565
CTK5F7481
DTXSID10236030
GTPL3953
KB-270514
MolPort-023-276-650
NCGC00371083-02
Pyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3H)-one, 9-(dimethylamino)-3-(hexahydro-1H-azepin-1-yl)-
RT-011135
SCHEMBL8237949
U8C5C9D65S
UNII-U8C5C9D65S
ZINC13676140
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| Structure |
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| Formula |
C17H21N5OS
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| Molecular Weight |
343.456
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| Canonical SMILES |
CN(C)c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c12
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| InChI |
InChI=1S/C17H21N5OS/c1-20(2)12-7-8-18-16-13(12)14-15(24-16)17(23)22(11-19-14)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3
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| InChIKey |
GYWGXEGOXODOQU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02444, Metabotropic glutamate receptor 1
Protein ID: PT01994, Metabotropic glutamate receptor 1
Protein ID: PT00854, Metabotropic glutamate receptor 5
Protein ID: PT01247, Metabotropic glutamate receptor 5
Clinical Information about the Compound