General Information of the Compound
| Compound ID |
CP0449995
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216968, 123
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H28Cl2N4O3
|
||||||||||||||||||
| Molecular Weight |
587.507
|
||||||||||||||||||
| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3cc(CCc4ccccc4)ccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H28Cl2N4O3/c1-19-25(33)9-6-10-27(19)37-32(40)24-16-22(17-28-30(24)38-29(36-28)18-41-2)35-31(39)23-15-21(13-14-26(23)34)12-11-20-7-4-3-5-8-20/h3-10,13-17H,11-12,18H2,1-2H3,(H,35,39)(H,36,38)(H,37,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AEMFJIMUJWFAPK-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 | |||||||||||||||||||
| 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