General Information of the Compound
| Compound ID |
CP0507411
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-amino-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H22N6O2S
|
||||||||||||||||||
| Molecular Weight |
362.459
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nc2ccccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H22N6O2S/c1-9(17)14(24)21-11(6-4-8-20-16(18)19)13(23)15-22-10-5-2-3-7-12(10)25-15/h2-3,5,7,9,11H,4,6,8,17H2,1H3,(H,21,24)(H4,18,19,20)/t9-,11-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FQYDWPUFKSYEEG-ONGXEEELSA-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