General Information of the Compound
| Compound ID |
CP0295364
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[5-[[(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl]amino]-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18F3N5OS
|
||||||||||||||||||
| Molecular Weight |
433.459
|
||||||||||||||||||
| Canonical SMILES |
N[C@H](CNc1nnc(s1)-c1ccc2NC(=O)Cc2c1)Cc1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18F3N5OS/c21-20(22,23)14-4-1-11(2-5-14)7-15(24)10-25-19-28-27-18(30-19)12-3-6-16-13(8-12)9-17(29)26-16/h1-6,8,15H,7,9-10,24H2,(H,25,28)(H,26,29)/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ULPHTBRVXJBSIQ-HNNXBMFYSA-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 | |||||||||||||||||||