General Information of the Compound
| Compound ID |
CP0455939
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-phenyl-3-[[2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl]disulfanyl]-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C50H42N4O2S2
|
||||||||||||||||||
| Molecular Weight |
795.046
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](NC(=O)c1c(SSc2c(nc3ccccc3c2C(=O)N[C@@H](CC)c2ccccc2)-c2ccccc2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C50H42N4O2S2/c1-3-39(33-21-9-5-10-22-33)53-49(55)43-37-29-17-19-31-41(37)51-45(35-25-13-7-14-26-35)47(43)57-58-48-44(50(56)54-40(4-2)34-23-11-6-12-24-34)38-30-18-20-32-42(38)52-46(48)36-27-15-8-16-28-36/h5-32,39-40H,3-4H2,1-2H3,(H,53,55)(H,54,56)/t39-,40-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JBBBVVLGUXWNBB-ZAQUEYBZSA-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