General Information of the Compound
| Compound ID |
CP0969332
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-hydroxyethyl)-N-pyrazin-2-yl-cyclobutanecarboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C25H21F3N4O2
|
||||||||||||||||||
| Molecular Weight |
466.463
|
||||||||||||||||||
| Canonical SMILES |
O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N(CCO)c1cnccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21F3N4O2/c26-17-3-1-14(2-4-17)23-22(19-11-18(27)12-20(28)24(19)31-23)15-9-16(10-15)25(34)32(7-8-33)21-13-29-5-6-30-21/h1-6,11-13,15-16,31,33H,7-10H2/t15-,16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
CSMQQKXEUFGMPS-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