General Information of the Compound
| Compound ID |
CP0907800
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID124755249
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33Cl2N3O6
|
||||||||||||||||||
| Molecular Weight |
602.515
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@]12CCCCC=C1N(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](CC(=O)N1CCN(C(=O)c3ccco3)CC1)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33Cl2N3O6/c1-40-29(39)30-10-4-2-3-7-25(30)35(19-20-8-9-22(31)17-23(20)32)27(37)21(18-30)16-26(36)33-11-13-34(14-12-33)28(38)24-6-5-15-41-24/h5-9,15,17,21H,2-4,10-14,16,18-19H2,1H3/t21-,30+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JAPPIOPQRZOPJF-DFXYEROKSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8