General Information of the Compound
| Compound ID |
CP0401238
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(R)-1-[(S)-2-(3-Cycloheptyl-ureido)-4-methyl-pentanoylamino]-2-(1-methyl-1H-indol-3-yl)-ethyl]-5-methyl-oxazole-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H41N5O5
|
||||||||||||||||||
| Molecular Weight |
551.688
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)NC1CCCCCC1)C(=O)N[C@H](Cc1cn(C)c2ccccc12)c1nc(C(O)=O)c(C)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H41N5O5/c1-18(2)15-23(33-30(39)31-21-11-7-5-6-8-12-21)27(36)32-24(28-34-26(29(37)38)19(3)40-28)16-20-17-35(4)25-14-10-9-13-22(20)25/h9-10,13-14,17-18,21,23-24H,5-8,11-12,15-16H2,1-4H3,(H,32,36)(H,37,38)(H2,31,33,39)/t23-,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RZADOOUROLICHA-BJKOFHAPSA-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