General Information of the Compound
| Compound ID |
CP0411215
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10272079, Compound 125
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C52H77Cl2N3O7S
|
||||||||||||||||||
| Molecular Weight |
959.175
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)NCCOCCOCCOCCNS(=O)(=O)c1cccc(c1)[C@@H]1CN(C)Cc2c(Cl)cc(Cl)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C52H77Cl2N3O7S/c1-35(2)9-7-10-36(3)46-15-16-47-42-14-13-38-30-40(17-19-51(38,4)48(42)18-20-52(46,47)5)64-50(58)55-21-23-61-25-27-63-28-26-62-24-22-56-65(59,60)41-12-8-11-37(29-41)44-33-57(6)34-45-43(44)31-39(53)32-49(45)54/h8,11-13,29,31-32,35-36,40,42,44,46-48,56H,7,9-10,14-28,30,33-34H2,1-6H3,(H,55,58)/t36-,40+,42+,44+,46-,47+,48+,51+,52-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SFQJARPMEALCCQ-GFVFVFKSSA-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