General Information of the Compound
| Compound ID |
CP0355448
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-amino-N-[[4-[[(2S)-4-cyclohexyl-1-(ethylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H38N6O3
|
||||||||||||||||||
| Molecular Weight |
530.673
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H38N6O3/c1-2-32-30(39)26(18-15-21-9-5-3-6-10-21)35-28(37)23-16-13-22(14-17-23)19-33-29(38)25-20-34-36(27(25)31)24-11-7-4-8-12-24/h4,7-8,11-14,16-17,20-21,26H,2-3,5-6,9-10,15,18-19,31H2,1H3,(H,32,39)(H,33,38)(H,35,37)/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WJTJZDOMFKCYEA-SANMLTNESA-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: PT01678, Discoidin domain-containing receptor 2
Protein ID: PT01064, Ephrin type-A receptor 1
Protein ID: PT02113, Epithelial discoidin domain-containing receptor 1
Protein ID: PT01411, Fibroblast growth factor receptor 3
Protein ID: PT00945, Mitogen-activated protein kinase 11
Protein ID: PT00861, Mitogen-activated protein kinase 14
Protein ID: PT01059, Mitogen-activated protein kinase kinase kinase 20
Protein ID: PT02297, Mitogen-activated protein kinase kinase kinase 4
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT02251, Serine/threonine-protein kinase STK11
Protein ID: PT01071, Tyrosine-protein kinase ABL1