General Information of the Compound
| Compound ID |
CP0421682
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-amino-N-[[4-[[(2S)-4-cyclohexyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C34H39N7O3
|
||||||||||||||||||
| Molecular Weight |
593.732
|
||||||||||||||||||
| Canonical SMILES |
Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)NCc1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H39N7O3/c35-31-29(23-39-41(31)28-12-5-2-6-13-28)33(43)37-21-25-14-17-26(18-15-25)32(42)40-30(19-16-24-9-3-1-4-10-24)34(44)38-22-27-11-7-8-20-36-27/h2,5-8,11-15,17-18,20,23-24,30H,1,3-4,9-10,16,19,21-22,35H2,(H,37,43)(H,38,44)(H,40,42)/t30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHPTXYRWAYRPMZ-PMERELPUSA-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 | |||||||||||||||||||
| 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