General Information of the Compound
| Compound ID |
CP0446324
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[(2R)-1-[4-(butylamino)-6-(cyclopropylmethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methyl]-4-propylbenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H39N7O2S
|
||||||||||||||||||
| Molecular Weight |
501.701
|
||||||||||||||||||
| Canonical SMILES |
CCCCNc1nc(NCC2CC2)nc(n1)N1CCC[C@@H]1CNS(=O)(=O)c1ccc(CCC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H39N7O2S/c1-3-5-15-26-23-29-24(27-17-20-9-10-20)31-25(30-23)32-16-6-8-21(32)18-28-35(33,34)22-13-11-19(7-4-2)12-14-22/h11-14,20-21,28H,3-10,15-18H2,1-2H3,(H2,26,27,29,30,31)/t21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TZDMNXDMLMJLOS-OAQYLSRUSA-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