General Information of the Compound
| Compound ID |
CP0435828
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4208963
Show/Hide
|
||||||||||||||||||
| Formula |
C26H39N5O4S
|
||||||||||||||||||
| Molecular Weight |
517.696
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1CC[C@@H](CC1)C1=NC2(CCN(CC2)S(=O)(=O)CCc2c(C)cc(cc2C)N(C)C(N)=O)C(=O)N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H39N5O4S/c1-17-5-7-20(8-6-17)23-28-24(32)26(29-23)10-12-31(13-11-26)36(34,35)14-9-22-18(2)15-21(16-19(22)3)30(4)25(27)33/h15-17,20H,5-14H2,1-4H3,(H2,27,33)(H,28,29,32)/t17-,20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
PNTBFOBXKXSPLI-IRJFHVNHSA-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