General Information of the Compound
| Compound ID |
CP0579268
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL5204027
Show/Hide
|
||||||||||||||||||
| Formula |
C28H44N6O3S2
|
||||||||||||||||||
| Molecular Weight |
576.833
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCN(CC1)S(C)(=O)=O)c1cc(C)cs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H44N6O3S2/c1-18(2)27-31-30-20(4)34(27)24-15-22-6-7-23(16-24)33(22)13-10-25(26-14-19(3)17-38-26)29-28(35)21-8-11-32(12-9-21)39(5,36)37/h14,17-18,21-25H,6-13,15-16H2,1-5H3,(H,29,35)/t22-,23+,24-,25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IEPXWDCXYAYQPU-NDBXHCKUSA-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