General Information of the Compound
| Compound ID |
CP0281357
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C45H47ClF3N5O6S3
|
||||||||||||||||||
| Molecular Weight |
942.548
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)S(=O)(=O)c1cc(ccc1N[C@H](CCN1CCOCC1)CSc1ccccc1)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C45H47ClF3N5O6S3/c46-36-14-10-33(11-15-36)41-9-5-4-6-35(41)31-53-22-24-54(25-23-53)38-16-12-34(13-17-38)44(55)51-63(58,59)40-18-19-42(43(30-40)62(56,57)45(47,48)49)50-37(20-21-52-26-28-60-29-27-52)32-61-39-7-2-1-3-8-39/h1-19,30,37,50H,20-29,31-32H2,(H,51,55)/t37-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BHCQEPSHDIRJTJ-DIPNUNPCSA-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