General Information of the Compound
| Compound ID |
CP0463140
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-6-Amino-2-[(S)-2-[(biphenyl-4-carbonyl)-amino]-3-(1H-indol-3-yl)-propionylamino]-hexanoic acid tert-butyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H40N4O4
|
||||||||||||||||||
| Molecular Weight |
568.718
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(cc1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H40N4O4/c1-34(2,3)42-33(41)29(15-9-10-20-35)37-32(40)30(21-26-22-36-28-14-8-7-13-27(26)28)38-31(39)25-18-16-24(17-19-25)23-11-5-4-6-12-23/h4-8,11-14,16-19,22,29-30,36H,9-10,15,20-21,35H2,1-3H3,(H,37,40)(H,38,39)/t29-,30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WQCNWXOFRLFZFC-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