General Information of the Compound
| Compound ID |
CP0550758
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4449691
Show/Hide
|
||||||||||||||||||
| Formula |
C25H35N5O4S
|
||||||||||||||||||
| Molecular Weight |
501.653
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC1CCN(CC1)S(=O)(=O)C[C@H]1CC[C@@H](CC1)NCc1cccnc1)c1cc(on1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H35N5O4S/c31-25(23-14-24(34-29-23)20-5-6-20)28-22-9-12-30(13-10-22)35(32,33)17-18-3-7-21(8-4-18)27-16-19-2-1-11-26-15-19/h1-2,11,14-15,18,20-22,27H,3-10,12-13,16-17H2,(H,28,31)/t18-,21-
Show/Hide
|
||||||||||||||||||
| InChIKey |
CYGRBZKMCNVJHL-XGAFWQRZSA-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 | |||||||||||||||||||
| 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