General Information of the Compound
| Compound ID |
CP0851488
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID47195856
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H15BrN4S2
|
||||||||||||||||||
| Molecular Weight |
383.34
|
||||||||||||||||||
| Canonical SMILES |
Br.Cc1ccnc(Nc2nc(-c3sc(C)nc3C)cs2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H14N4S2.BrH/c1-8-4-5-15-12(6-8)18-14-17-11(7-19-14)13-9(2)16-10(3)20-13;/h4-7H,1-3H3,(H,15,17,18);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
DHUPIVWQUGOQPO-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3