General Information of the Compound
| Compound ID |
CP0507936
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1774005
Show/Hide
|
||||||||||||||||||
| Formula |
C27H36ClN3O4S
|
||||||||||||||||||
| Molecular Weight |
534.122
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H36ClN3O4S/c1-16-12-25(35-5)17(2)18(3)26(16)36(33,34)30-24(13-19-6-8-20(28)9-7-19)27(32)29-21-14-22-10-11-23(15-21)31(22)4/h6-9,12,21-24,30H,10-11,13-15H2,1-5H3,(H,29,32)/t21-,22+,23-,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ABECTNWXRXHWDP-KIHHCIJBSA-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