General Information of the Compound
| Compound ID |
CP0870597
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,3R)-1-(2,6-difluoro-4-(1-((1-(fluoromethyl)cyclopropyl)methyl)azetidin-3-yloxy)phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35F4N3O
|
||||||||||||||||||
| Molecular Weight |
529.622
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CC4(CF)CC4)C3)cc2F)N1CC(C)(C)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35F4N3O/c1-18-10-22-21-6-4-5-7-25(21)35-27(22)28(37(18)16-29(2,3)34)26-23(32)11-19(12-24(26)33)38-20-13-36(14-20)17-30(15-31)8-9-30/h4-7,11-12,18,20,28,35H,8-10,13-17H2,1-3H3/t18-,28-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NYNSFMFVGGKNMA-KWMCUTETSA-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