General Information of the Compound
| Compound ID |
CP0907354
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-((1R,3R)-1-(4-((1-(3,3-Difluoropropyl)azetidin-3-yl)amino)-2,6-difluorophenyl)-3-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2(9H)-yl)-2,2-difluoropropan-1-ol
Show/Hide
|
||||||||||||||||||
| Formula |
C27H30F6N4O
|
||||||||||||||||||
| Molecular Weight |
540.552
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(NC3CN(CCC(F)F)C3)cc2F)N1CC(F)(F)CO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30F6N4O/c1-15-8-19-18-4-2-3-5-22(18)35-25(19)26(37(15)13-27(32,33)14-38)24-20(28)9-16(10-21(24)29)34-17-11-36(12-17)7-6-23(30)31/h2-5,9-10,15,17,23,26,34-35,38H,6-8,11-14H2,1H3/t15-,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HZSIGWFQINBTLS-PVPMGCCUSA-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 | |||||||||||||||||||
| 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