General Information of the Compound
| Compound ID |
CP0473506
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-methoxy-2-phenyl-N-[5-[[(3R)-1-(1,2,4-triazin-6-yl)pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20N8O2S
|
||||||||||||||||||
| Molecular Weight |
412.479
|
||||||||||||||||||
| Canonical SMILES |
CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20N8O2S/c1-28-15(12-5-3-2-4-6-12)16(27)22-18-25-24-17(29-18)21-13-7-8-26(10-13)14-9-19-11-20-23-14/h2-6,9,11,13,15H,7-8,10H2,1H3,(H,21,24)(H,22,25,27)/t13-,15+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UARUDZDSUPDKKH-HIFRSBDPSA-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