General Information of the Compound
| Compound ID |
CP0487369
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-phenylazetidine-1-carbonyl)-5-methoxy-12-azapentacyclo[10.7.0.02,7.08,10.013,18]nonadeca-1(19),2(7),3,5,13(18),14,16-heptaene-15-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H42N4O6S
|
||||||||||||||||||
| Molecular Weight |
682.843
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CC(O)(C1)c1ccccc1)C(=O)NS(=O)(=O)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H42N4O6S/c1-40(2)49(46,47)39-35(43)25-14-16-29-32(18-25)42-21-37(36(44)41-22-38(45,23-41)26-12-8-5-9-13-26)20-31(37)30-19-27(48-3)15-17-28(30)34(42)33(29)24-10-6-4-7-11-24/h5,8-9,12-19,24,31,45H,4,6-7,10-11,20-23H2,1-3H3,(H,39,43)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KOESFBTYPLWGFO-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