General Information of the Compound
| Compound ID |
CP0143636
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(4-methylpiperazin-1-yl)methyl]-N-[5-[3-methyl-4-[(5-propan-2-yl-1,2-oxazol-3-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H36N8O3
|
||||||||||||||||||
| Molecular Weight |
556.671
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cc(NC(=O)Nc2ccc(cc2C)-c2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)[nH]n2)no1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H36N8O3/c1-19(2)26-17-28(36-41-26)33-30(40)31-24-10-9-23(15-20(24)3)25-16-27(35-34-25)32-29(39)22-7-5-21(6-8-22)18-38-13-11-37(4)12-14-38/h5-10,15-17,19H,11-14,18H2,1-4H3,(H2,31,33,36,40)(H2,32,34,35,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DGTHZVANBQORTH-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