General Information of the Compound
| Compound ID |
CP0355451
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-amino-N-[[4-[[(2S)-4-cyclohexyl-1-[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]-1-oxobutan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H47N7O4
|
||||||||||||||||||
| Molecular Weight |
653.828
|
||||||||||||||||||
| Canonical SMILES |
Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)NC1CCCN(C1)C(=O)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H47N7O4/c38-33-31(23-40-44(33)30-11-5-2-6-12-30)35(46)39-22-26-13-16-27(17-14-26)34(45)42-32(20-15-25-8-3-1-4-9-25)36(47)41-29-10-7-21-43(24-29)37(48)28-18-19-28/h2,5-6,11-14,16-17,23,25,28-29,32H,1,3-4,7-10,15,18-22,24,38H2,(H,39,46)(H,41,47)(H,42,45)/t29?,32-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
COCCKGDYQJAXBC-VQSVVBPOSA-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 | |||||||||||||||||||
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: PT02113, Epithelial discoidin domain-containing receptor 1
Protein ID: PT00861, Mitogen-activated protein kinase 14