General Information of the Compound
| Compound ID |
CP0181737
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)-3-[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1,3-thiazolidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H21N5O4S2
|
||||||||||||||||||
| Molecular Weight |
411.509
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(ccc1N1CCN(CC1)S(=O)(=O)N1CSC[C@@H]1C(=O)NO)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H21N5O4S2/c1-12-8-13(9-17)2-3-14(12)19-4-6-20(7-5-19)27(24,25)21-11-26-10-15(21)16(22)18-23/h2-3,8,15,23H,4-7,10-11H2,1H3,(H,18,22)/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UGVOWFLXYXPRQV-OAHLLOKOSA-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 | |||||||||||||||||||