General Information of the Compound
| Compound ID |
CP0573070
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[[3-(2,6-dichloro-3,5-dimethoxybenzoyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]-5-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H30Cl2N6O4
|
||||||||||||||||||
| Molecular Weight |
609.514
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)c(Cl)c(C(=O)c2c[nH]c3nc(Nc4ccc(cc4NC(=O)C=C)N4CCN(C)CC4)ccc23)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H30Cl2N6O4/c1-5-25(39)35-21-14-17(38-12-10-37(2)11-13-38)6-8-20(21)34-24-9-7-18-19(16-33-30(18)36-24)29(40)26-27(31)22(41-3)15-23(42-4)28(26)32/h5-9,14-16H,1,10-13H2,2-4H3,(H,35,39)(H2,33,34,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZCKJJGOVVXNREC-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