General Information of the Compound
| Compound ID |
CP0431959
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
19-cyclohexyl-N-(dimethylsulfamoyl)-10-(3-hydroxy-3-propan-2-ylazetidine-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 |
C35H44N4O6S
|
||||||||||||||||||
| Molecular Weight |
648.826
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CC(O)(C1)C(C)C)C(=O)NS(=O)(=O)N(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H44N4O6S/c1-21(2)35(42)19-38(20-35)33(41)34-17-28(34)27-16-24(45-5)12-14-25(27)31-30(22-9-7-6-8-10-22)26-13-11-23(15-29(26)39(31)18-34)32(40)36-46(43,44)37(3)4/h11-16,21-22,28,42H,6-10,17-20H2,1-5H3,(H,36,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BEKAPBGCIVTEMM-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