General Information of the Compound
| Compound ID |
CP0950982
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-({2-[(E)-3-(4-Dimethylcarbamoyl-phenyl)-acryloylamino]-acetyl}-methyl-amino)-N*1*,N*1*,N*3*,N*3*-tetramethyl-2-(2-methyl-quinolin-8-yloxymethyl)-isophthalamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H43ClN6O6
|
||||||||||||||||||
| Molecular Weight |
715.251
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2cccc(OCc3c(C(=O)N(C)C)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(C(=O)N(C)C)cc4)c3C(=O)N(C)C)c2n1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H42N6O6.ClH/c1-24-12-16-26-10-9-11-31(35(26)40-24)50-23-29-28(37(48)42(4)5)19-20-30(34(29)38(49)43(6)7)44(8)33(46)22-39-32(45)21-15-25-13-17-27(18-14-25)36(47)41(2)3;/h9-21H,22-23H2,1-8H3,(H,39,45);1H/b21-15+;
Show/Hide
|
||||||||||||||||||
| InChIKey |
XMXCXVKFPCCIJJ-NEMIEIFKSA-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