General Information of the Compound
| Compound ID |
CP0925503
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-(3-Dimethylamino-propyl)-5-phenyl-1-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2-thioxo-imidazolidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29N7OS
|
||||||||||||||||||
| Molecular Weight |
511.655
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCCN1C(=O)[C@H](c2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=S
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29N7OS/c1-33(2)17-8-18-34-27(36)25(22-9-4-3-5-10-22)35(28(34)37)19-20-13-15-21(16-14-20)23-11-6-7-12-24(23)26-29-31-32-30-26/h3-7,9-16,25H,8,17-19H2,1-2H3,(H,29,30,31,32)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RLLQQCVZGOLIIS-VWLOTQADSA-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