General Information of the Compound
| Compound ID |
CP0179285
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(5-carbamoyl-3-(4-iodophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)-1-(4-(2-cyanophenyl)piperazin-1-yl)propan-2-yl carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31IN8O3
|
||||||||||||||||||
| Molecular Weight |
654.513
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)OC(CN1CCN(CC1)c1ccccc1C#N)Cn1nc(c2CN(CCc12)C(N)=O)-c1ccc(I)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31IN8O3/c29-21-7-5-19(6-8-21)26-23-18-36(27(31)38)10-9-25(23)37(33-26)17-22(40-28(32)39)16-34-11-13-35(14-12-34)24-4-2-1-3-20(24)15-30/h1-8,22H,9-14,16-18H2,(H2,31,38)(H2,32,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OPNPKOZGYIOUCH-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