General Information of the Compound
| Compound ID |
CP0787641
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-((1R,3R)-3-(4-(5-fluoropyridin-2-yl)-1H-imidazol-2-yl)-1-(1-methyl-1H-pyrazol-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1,3,4-oxadiazol-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H21FN10O
|
||||||||||||||||||
| Molecular Weight |
496.51
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc([C@@]2(c3nnc(N)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c2[nH]c2ccccc32)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H21FN10O/c1-36-12-13(9-30-36)25(23-34-35-24(27)37-23)21-16(15-4-2-3-5-17(15)31-21)8-19(33-25)22-29-11-20(32-22)18-7-6-14(26)10-28-18/h2-7,9-12,19,31,33H,8H2,1H3,(H2,27,35)(H,29,32)/t19-,25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BOKJQWGRYGDLOQ-KBMIEXCESA-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