General Information of the Compound
| Compound ID |
CP0091708
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-amino-5-(1,3-benzothiazol-2-yl)-6-[[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]amino]pyrimidine-4-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18N6O3S
|
||||||||||||||||||
| Molecular Weight |
398.448
|
||||||||||||||||||
| Canonical SMILES |
Nc1nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c(-c2nc3ccccc3s2)c(n1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18N6O3S/c19-6-11-13(17-22-9-3-1-2-4-12(9)28-17)16(24-18(20)23-11)21-10-5-8(7-25)14(26)15(10)27/h1-4,8,10,14-15,25-27H,5,7H2,(H3,20,21,23,24)/t8-,10-,14-,15+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HKFWLYRWTWQDEB-JTSVONRASA-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