General Information of the Compound
| Compound ID |
CP0502693
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-(2-(4-(1-allyl-3-(4-cyanophenyl)ureido)piperidin-1-yl)ethyl)-4-(3-fluorophenyl)piperidine-1-carbonyl)-N-tert-butyl-4-chloro-2-fluorobenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C40H47ClF2N6O4S
|
||||||||||||||||||
| Molecular Weight |
781.37
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCC(CCN3CCC(CC3)N(CC=C)C(=O)Nc3ccc(cc3)C#N)(CC2)c2cccc(F)c2)c(Cl)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H47ClF2N6O4S/c1-5-18-49(38(51)45-31-11-9-28(27-44)10-12-31)32-13-19-47(20-14-32)21-15-40(29-7-6-8-30(42)24-29)16-22-48(23-17-40)37(50)33-25-36(35(43)26-34(33)41)54(52,53)46-39(2,3)4/h5-12,24-26,32,46H,1,13-23H2,2-4H3,(H,45,51)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XYEPVVHWYTWZCA-UHFFFAOYSA-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