General Information of the Compound
| Compound ID |
CP0501637
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-allyl-3-(1-(2-(1-(5-(N-tert-butylsulfamoyl)-2-chloro-4-fluorobenzoyl)-4-(3-fluorophenyl)piperidin-4-yl)ethyl)piperidin-4-yl)ureido)phenyl acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C41H50ClF2N5O6S
|
||||||||||||||||||
| Molecular Weight |
814.396
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Oc1ccc(NC(=O)N(CC=C)C2CCN(CCC3(CCN(CC3)C(=O)c3cc(c(F)cc3Cl)S(=O)(=O)NC(C)(C)C)c3cccc(F)c3)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C41H50ClF2N5O6S/c1-6-19-49(39(52)45-31-10-12-33(13-11-31)55-28(2)50)32-14-20-47(21-15-32)22-16-41(29-8-7-9-30(43)25-29)17-23-48(24-18-41)38(51)34-26-37(36(44)27-35(34)42)56(53,54)46-40(3,4)5/h6-13,25-27,32,46H,1,14-24H2,2-5H3,(H,45,52)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UHBRCKZEFZHBHF-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