General Information of the Compound
| Compound ID |
CP0960819
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-(5,5-dimethyl-2-oxo-tetrahydrofuran-3-yl)urea
Show/Hide
|
||||||||||||||||||
| Formula |
C26H26F3N3O3
|
||||||||||||||||||
| Molecular Weight |
485.506
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)CC(NC(=O)NC[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)C(=O)O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26F3N3O3/c1-26(2)11-20(24(33)35-26)31-25(34)30-12-13-7-15(8-13)21-18-9-17(28)10-19(29)23(18)32-22(21)14-3-5-16(27)6-4-14/h3-6,9-10,13,15,20,32H,7-8,11-12H2,1-2H3,(H2,30,31,34)/t13-,15-,20?
Show/Hide
|
||||||||||||||||||
| InChIKey |
KEGBAGRNURJGJZ-WBEUYKKISA-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