General Information of the Compound
| Compound ID |
CP0063220
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Ischemin
Show/Hide
|
||||||||||||||||||
| Formula |
C15H17N3O4S
|
||||||||||||||||||
| Molecular Weight |
335.385
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(\N=N\c2cc(c(C)cc2C)S(O)(=O)=O)c(N)cc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H17N3O4S/c1-8-4-10(3)15(23(20,21)22)7-12(8)17-18-13-5-9(2)14(19)6-11(13)16/h4-7,19H,16H2,1-3H3,(H,20,21,22)/b18-17+
Show/Hide
|
||||||||||||||||||
| InChIKey |
UUECJWRVDTUDCB-ISLYRVAYSA-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 | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||