General Information of the Compound
| Compound ID |
CP0710226
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID17412463
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H26N2OS
|
||||||||||||||||||
| Molecular Weight |
378.541
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(OCCn2cc(C(=S)N3CCCC3)c3ccccc32)cc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26N2OS/c1-17-9-10-19(15-18(17)2)26-14-13-25-16-21(20-7-3-4-8-22(20)25)23(27)24-11-5-6-12-24/h3-4,7-10,15-16H,5-6,11-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OHTQPLXIUBCWHF-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: PT06101, Latent membrane protein 1