General Information of the Compound
| Compound ID |
CP0969354
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(2-hydroxy-2-methyl-propyl)urea
Show/Hide
|
||||||||||||||||||
| Formula |
C24H26F3N3O2
|
||||||||||||||||||
| Molecular Weight |
445.485
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(O)CNC(=O)NC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26F3N3O2/c1-24(2,32)12-29-23(31)28-11-13-7-15(8-13)20-18-9-17(26)10-19(27)22(18)30-21(20)14-3-5-16(25)6-4-14/h3-6,9-10,13,15,30,32H,7-8,11-12H2,1-2H3,(H2,28,29,31)/t13-,15-
Show/Hide
|
||||||||||||||||||
| InChIKey |
SUXMRXZBIWSVAG-CTYIDZIISA-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
|
||||||||||||||||||
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