General Information of the Compound
| Compound ID |
CP0877240
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID14731952
Show/Hide
|
||||||||||||||||||
| Formula |
C14H13N3S
|
||||||||||||||||||
| Molecular Weight |
255.346
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(CSc2nc3cc[nH]cc-3n2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H13N3S/c1-10-2-4-11(5-3-10)9-18-14-16-12-6-7-15-8-13(12)17-14/h2-8,15H,9H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LAIWQXNVFYLRQO-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 | |||||||||||||||||||
| 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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1