General Information of the Compound
| Compound ID |
CP0912659
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID131462404
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30FN3O2
|
||||||||||||||||||
| Molecular Weight |
459.565
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cc1ccccn1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30FN3O2/c29-24-9-2-1-8-23(24)20-10-12-21(13-11-20)28-25-18-31(15-5-6-16-32(25)26(28)19-33)27(34)17-22-7-3-4-14-30-22/h1-4,7-14,25-26,28,33H,5-6,15-19H2/t25-,26-,28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QUOXIPRDJDALTM-NSVAZKTRSA-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