General Information of the Compound
| Compound ID |
CP0915517
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID131421177
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H37N3O4S
|
||||||||||||||||||
| Molecular Weight |
499.677
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CC#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccncc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H37N3O4S/c1-20(2)7-6-8-23-9-10-27-25(15-23)34-26(18-29(5)17-24-11-13-28-14-12-24)21(3)16-30(22(4)19-31)35(27,32)33/h9-15,20-22,26,31H,7,16-19H2,1-5H3/t21-,22-,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XEPXJXDZZKWJNH-DRLORSAXSA-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