General Information of the Compound
| Compound ID |
CP0472999
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-2-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]amino]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N7O5
|
||||||||||||||||||
| Molecular Weight |
493.524
|
||||||||||||||||||
| Canonical SMILES |
OC[C@H]1CCCN1c1nccc(NCC(=O)Nc2cccc3C(=O)N(Cc23)C2CCC(=O)NC2=O)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N7O5/c32-13-14-3-2-10-30(14)24-25-9-8-19(28-24)26-11-21(34)27-17-5-1-4-15-16(17)12-31(23(15)36)18-6-7-20(33)29-22(18)35/h1,4-5,8-9,14,18,32H,2-3,6-7,10-13H2,(H,27,34)(H,25,26,28)(H,29,33,35)/t14-,18?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HQIHAVBDCVQJOE-IKJXHCRLSA-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