General Information of the Compound
| Compound ID |
CP0154430
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[[7-cyano-2-[[2-[2-[2-[2-[[7-cyano-6-[4-fluoro-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-1,3-benzothiazol-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C54H38F8N8O9S2
|
||||||||||||||||||
| Molecular Weight |
1159.063
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(Oc2ccc3nc(NC(=O)COCCOCCOCC(=O)Nc4nc5ccc(Oc6ccc(F)c(NC(=O)Cc7cccc(c7)C(F)(F)F)c6)c(C#N)c5s4)sc3c2C#N)cc1NC(=O)Cc1cccc(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C54H38F8N8O9S2/c55-37-9-7-33(23-41(37)65-45(71)21-29-3-1-5-31(19-29)53(57,58)59)78-43-13-11-39-49(35(43)25-63)80-51(67-39)69-47(73)27-76-17-15-75-16-18-77-28-48(74)70-52-68-40-12-14-44(36(26-64)50(40)81-52)79-34-8-10-38(56)42(24-34)66-46(72)22-30-4-2-6-32(20-30)54(60,61)62/h1-14,19-20,23-24H,15-18,21-22,27-28H2,(H,65,71)(H,66,72)(H,67,69,73)(H,68,70,74)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JLVNUPOSARBLTN-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