General Information of the Compound
| Compound ID |
CP0903484
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6S,8R)-7-(2-Fluoro-2-methylpropyl)-6-(4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)-2-methoxyphenyl)-8-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36F2N4O2
|
||||||||||||||||||
| Molecular Weight |
498.618
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OCCN2CC(CF)C2)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC(C)(C)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36F2N4O2/c1-18-11-23-21(7-8-25-24(23)14-31-32-25)27(34(18)17-28(2,3)30)22-6-5-20(12-26(22)35-4)36-10-9-33-15-19(13-29)16-33/h5-8,12,14,18-19,27H,9-11,13,15-17H2,1-4H3,(H,31,32)/t18-,27+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XEVXNFHZSRMVFH-CLYVBNDRSA-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