General Information of the Compound
| Compound ID |
CP0848884
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-Amino-heptanoic acid methyl-(4-pyrrolidin-1-yl-but-2-ynyl)-amide: (2 TFA)
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H31F6N3O5
|
||||||||||||||||||
| Molecular Weight |
507.472
|
||||||||||||||||||
| Canonical SMILES |
CN(CC#CCN1CCCC1)C(=O)CCCCCCN.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H29N3O.2C2HF3O2/c1-18(16(20)10-4-2-3-5-11-17)12-6-7-13-19-14-8-9-15-19;2*3-2(4,5)1(6)7/h2-5,8-15,17H2,1H3;2*(H,6,7)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KQTHRQNXIAFOTM-UHFFFAOYSA-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 | |||||||||||||||||||
| ChEMBL 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