General Information of the Compound
| Compound ID |
CP0300677
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-3-[4-[3-methoxy-4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]propane-1,2-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H33N5O4
|
||||||||||||||||||
| Molecular Weight |
503.603
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(C[C@H](O)CO)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33N5O4/c1-36-26-6-4-3-5-23(26)25-10-8-21-16-29-28(31-33(21)25)30-24-9-7-20(15-27(24)37-2)19-11-13-32(14-12-19)17-22(35)18-34/h3-10,15-16,19,22,34-35H,11-14,17-18H2,1-2H3,(H,30,31)/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KXWHALCUEMIJMC-QFIPXVFZSA-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