General Information of the Compound
| Compound ID |
CP0009348
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
MLS001210781
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18Cl2N2O2
|
||||||||||||||||||
| Molecular Weight |
389.282
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18Cl2N2O2/c1-11(2)20(26)24-18(14-8-6-13(21)10-16(14)22)15-7-5-12-4-3-9-23-17(12)19(15)25/h3-11,18,25H,1-2H3,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GUGJXJDURCSDQV-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1