General Information of the Compound
| Compound ID |
CP0659036
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(Benzo[d]thiazol-2-yl)-2-(3,4-dihydroisoquinolin-2(1H)-yl)-6-(((1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl)amino)pyrimidin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27N5O4S
|
||||||||||||||||||
| Molecular Weight |
505.6
|
||||||||||||||||||
| Canonical SMILES |
O=c1[nH]c(N2CCc3ccccc3C2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27N5O4S/c32-13-16-11-18(22(34)21(16)33)27-23-20(25-28-17-7-3-4-8-19(17)36-25)24(35)30-26(29-23)31-10-9-14-5-1-2-6-15(14)12-31/h1-8,16,18,21-22,32-34H,9-13H2,(H2,27,29,30,35)/t16-,18-,21-,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XZRWYMNPQAKYJF-VZVVXEKASA-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