| Drug Name |
AC1MOZOL
|
| Synonyms |
686770-82-1; AC1MOZOL; CHEMBL3919432; SCHEMBL16200742; BDBM86644; AKOS024584761; MCULE-1812319467; BC11-38-2; EU-0022203; SR-01000120183; SR-01000120183-1; F0579-0063; 2-(sec-butylthio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one; 2-butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
|
| Drug Type |
Small molecular drug
|
| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
318.5 |
|
| Logarithm of the Partition Coefficient (xlogp) |
4.1 |
| Rotatable Bond Count (rotbonds) |
4 |
| Hydrogen Bond Donor Count (hbonddonor) |
0 |
| Hydrogen Bond Acceptor Count (hbondacc) |
4 |
| Chemical Identifiers |
- Formula
- C16H18N2OS2
- IUPAC Name
2-butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one - Canonical SMILES
-
CCC(C)SC1=NC2=C(C(=O)N1C3=CC=CC=C3)SCC2
- InChI
-
InChI=1S/C16H18N2OS2/c1-3-11(2)21-16-17-13-9-10-20-14(13)15(19)18(16)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
- InChIKey
-
UWXVMIBCJRNBBP-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 3403301
- TTD ID
- D0A0ZU
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