Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: S5PUP23U26

Structure

InChI Key YCXARMXCESBEDS-UHFFFAOYSA-N
Smile CC(CN1c2ccccc2Sc2ccccc21)N(C)C.Cn1c(=O)c2[nH]c(Cl)nc2n(C)c1=O
InChI
InChI=1S/C17H20N2S.C7H7ClN4O2/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h4-11,13H,12H2,1-3H3;1-2H3,(H,9,10)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H27ClN6O2S
Molecular Weight 499.04
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 32059
ChEMBL CHEMBL3833361
FDA SRS S5PUP23U26
PubChem 63030
SureChEMBL SCHEMBL2143003