General Information of the Compound
| Compound ID |
CP0873084
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8R,14S)-8-benzyl-12-methyl-14-propyl-5,6,8,9,11,12,15,16-octahydrodibenzo[b,p][1,5,8,11,14]thiatetraazacycloheptadecine-7,10,13(14H)-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H36N4O3S
|
||||||||||||||||||
| Molecular Weight |
544.721
|
||||||||||||||||||
| Canonical SMILES |
CCC[C@@H]1NCc2ccccc2Sc2ccccc2CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H36N4O3S/c1-3-11-25-31(38)35(2)21-29(36)34-26(18-22-12-5-4-6-13-22)30(37)33-20-24-15-8-10-17-28(24)39-27-16-9-7-14-23(27)19-32-25/h4-10,12-17,25-26,32H,3,11,18-21H2,1-2H3,(H,33,37)(H,34,36)/t25-,26+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CWDQRRQHBWYYOP-IZZNHLLZSA-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