General Information of the Compound
| Compound ID |
CP0968573
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(3-methylpyrazol-1-yl)ethyl]cyclobutanecarboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C25H23F3N4O
|
||||||||||||||||||
| Molecular Weight |
452.48
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccn(CCNC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23F3N4O/c1-14-6-8-32(31-14)9-7-29-25(33)17-10-16(11-17)22-20-12-19(27)13-21(28)24(20)30-23(22)15-2-4-18(26)5-3-15/h2-6,8,12-13,16-17,30H,7,9-11H2,1H3,(H,29,33)/t16-,17-
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFMJOQYOQJMJOH-QAQDUYKDSA-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