General Information of the Compound
| Compound ID |
CP0430584
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Benzoic acid 4-{(S)-2-[(S)-2-(benzyl-methyl-amino)-4-methyl-pentanoylamino]-2-tert-butylcarbamoyl-ethyl}-phenyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H43N3O4
|
||||||||||||||||||
| Molecular Weight |
557.735
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](N(C)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H43N3O4/c1-24(2)21-30(37(6)23-26-13-9-7-10-14-26)32(39)35-29(31(38)36-34(3,4)5)22-25-17-19-28(20-18-25)41-33(40)27-15-11-8-12-16-27/h7-20,24,29-30H,21-23H2,1-6H3,(H,35,39)(H,36,38)/t29-,30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BRNNVTNSNUZGHW-KYJUHHDHSA-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