General Information of the Compound
| Compound ID |
CP0845385
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(1-methyl-2-oxo-2,3-dihydro-1Himidazo[4,5-b]pyridin-7-yloxy)phenyl)urea citrate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H37N7O10
|
||||||||||||||||||
| Molecular Weight |
703.709
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc4c3[nH]c(=O)n4C)cc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29N7O3.C6H8O7/c1-17-6-10-19(11-7-17)35-23(16-22(33-35)28(2,3)4)31-26(36)30-18-8-12-20(13-9-18)38-21-14-15-29-25-24(21)32-27(37)34(25)5;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-16H,1-5H3,(H,32,37)(H2,30,31,36);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QBGJCNZOXWDEOS-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