General Information of the Compound
| Compound ID |
CP0453566
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Benzoic acid 4-((S)-2-tert-butylcarbamoyl-2-{(S)-3-methyl-2-[methyl-(3-methyl-butyl)-amino]-butyrylamino}-ethyl)-phenyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H45N3O4
|
||||||||||||||||||
| Molecular Weight |
523.718
|
||||||||||||||||||
| Canonical SMILES |
CC(C)CCN(C)[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)NC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H45N3O4/c1-21(2)18-19-34(8)27(22(3)4)29(36)32-26(28(35)33-31(5,6)7)20-23-14-16-25(17-15-23)38-30(37)24-12-10-9-11-13-24/h9-17,21-22,26-27H,18-20H2,1-8H3,(H,32,36)(H,33,35)/t26-,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WWDGIMCMFUEIKW-SVBPBHIXSA-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