General Information of the Compound
| Compound ID |
CP0953037
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[4-hydroxy-4-(hydroxymethyl)-1-piperidyl]methanone
Show/Hide
|
||||||||||||||||||
| Formula |
C25H25F3N2O3
|
||||||||||||||||||
| Molecular Weight |
458.48
|
||||||||||||||||||
| Canonical SMILES |
O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CCC(O)(CO)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25F3N2O3/c26-17-3-1-14(2-4-17)22-21(19-11-18(27)12-20(28)23(19)29-22)15-9-16(10-15)24(32)30-7-5-25(33,13-31)6-8-30/h1-4,11-12,15-16,29,31,33H,5-10,13H2/t15-,16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
GRPAUPGOYHXZCW-WKILWMFISA-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