General Information of the Compound
| Compound ID |
CP0469967
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216968, 119
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H30Cl2N4O4
|
||||||||||||||||||
| Molecular Weight |
569.489
|
||||||||||||||||||
| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3cc(CCC(C)(C)O)ccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H30Cl2N4O4/c1-16-21(30)6-5-7-23(16)34-28(37)20-13-18(14-24-26(20)35-25(33-24)15-39-4)32-27(36)19-12-17(8-9-22(19)31)10-11-29(2,3)38/h5-9,12-14,38H,10-11,15H2,1-4H3,(H,32,36)(H,33,35)(H,34,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PMXJIPAKQWAQKW-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