General Information of the Compound
| Compound ID |
CP0496064
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Dihydropyrimidine, 17
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H25N5O4S
|
||||||||||||||||||
| Molecular Weight |
515.595
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C1=NC(C)=C(C(N1)c1ccc(cc1)S(C)(=O)=O)C(=O)Nc1ccc2[nH]ncc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25N5O4S/c1-16-24(27(33)30-20-8-13-23-19(14-20)15-28-32-23)25(17-6-11-22(12-7-17)37(3,34)35)31-26(29-16)18-4-9-21(36-2)10-5-18/h4-15,25H,1-3H3,(H,28,32)(H,29,31)(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FFUSGSSPPHCGPY-UHFFFAOYSA-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