General Information of the Compound
| Compound ID |
CP0577783
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[[3-(2,6-dichloro-3,5-dimethoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-5-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H32Cl2N6O5
|
||||||||||||||||||
| Molecular Weight |
651.551
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)c(Cl)c(C(=O)c2c[nH]c3nc(Nc4ccc(cc4NC(=O)C=C)N4CCN(CC4)C4COC4)ccc23)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H32Cl2N6O5/c1-4-27(41)37-23-13-18(39-9-11-40(12-10-39)19-16-45-17-19)5-7-22(23)36-26-8-6-20-21(15-35-32(20)38-26)31(42)28-29(33)24(43-2)14-25(44-3)30(28)34/h4-8,13-15,19H,1,9-12,16-17H2,2-3H3,(H,37,41)(H2,35,36,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NCAIDHOXZCTINB-UHFFFAOYSA-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 | |||||||||||||||||||
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