General Information of the Compound
| Compound ID |
CP0950353
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-fluoro-7-methyl-N-((1R,3S)-3-(4-(methylsulfonyl)piperazin-1-yl)cyclohexyl)-1H-indole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H29FN4O3S
|
||||||||||||||||||
| Molecular Weight |
436.553
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(F)c2cc(C(=O)N[C@@H]3CCC[C@H](N4CCN(S(C)(=O)=O)CC4)C3)[nH]c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H29FN4O3S/c1-14-6-7-18(22)17-13-19(24-20(14)17)21(27)23-15-4-3-5-16(12-15)25-8-10-26(11-9-25)30(2,28)29/h6-7,13,15-16,24H,3-5,8-12H2,1-2H3,(H,23,27)/t15-,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QUGIPBMLSZTHGV-CVEARBPZSA-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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
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