General Information of the Compound
| Compound ID |
CP0970520
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[3-(hydroxymethyl)tetrahydrofuran-3-yl]urea
Show/Hide
|
||||||||||||||||||
| Formula |
C25H26F3N3O3
|
||||||||||||||||||
| Molecular Weight |
473.495
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)NC1(CO)CCOC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H26F3N3O3/c26-17-3-1-15(2-4-17)22-21(19-9-18(27)10-20(28)23(19)30-22)16-7-14(8-16)11-29-24(33)31-25(12-32)5-6-34-13-25/h1-4,9-10,14,16,30,32H,5-8,11-13H2,(H2,29,31,33)/t14-,16-,25?
Show/Hide
|
||||||||||||||||||
| InChIKey |
UULMJVSTEWLBGN-GXXCSGCHSA-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