General Information of the Compound
| Compound ID |
CP0312842
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
MLS000662806
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23Cl2N3O3
|
||||||||||||||||||
| Molecular Weight |
472.372
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCNC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(o1)-c1ccc(Cl)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23Cl2N3O3/c1-29(2)13-12-27-24(31)21(28-23(30)16-6-4-3-5-7-16)15-18-9-11-22(32-18)19-10-8-17(25)14-20(19)26/h3-11,14-15H,12-13H2,1-2H3,(H,27,31)(H,28,30)/b21-15-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ANFNVNCLPDJCHR-QNGOZBTKSA-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: PT06033, Microphthalmia-associated transcription factor