General Information of the Compound
| Compound ID |
CP0278835
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N1-(5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19F3N6S
|
||||||||||||||||||
| Molecular Weight |
432.475
|
||||||||||||||||||
| Canonical SMILES |
Cc1n[nH]c2ccc(cc12)-c1nnc(NC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19F3N6S/c1-11-16-9-13(4-7-17(16)27-26-11)18-28-29-19(30-18)25-10-15(24)8-12-2-5-14(6-3-12)20(21,22)23/h2-7,9,15H,8,10,24H2,1H3,(H,25,29)(H,26,27)/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KRKDQSSYLDUOBP-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 | |||||||||||||||||||