General Information of the Compound
| Compound ID |
CP0375074
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-4-(S)-Hydroxy-5-[(S)-2-((2S,3S)-2-hydroxy-3-methyl-pentanoylamino)-4-methyl-pentanoylamino]-2-isobutyl-6-phenyl-hexanoic acid {(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H61N5O6
|
||||||||||||||||||
| Molecular Weight |
695.946
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H61N5O6/c1-9-27(8)35(46)39(50)43-32(20-25(4)5)37(48)42-31(21-28-13-11-10-12-14-28)33(45)22-30(19-24(2)3)36(47)44-34(26(6)7)38(49)41-23-29-15-17-40-18-16-29/h10-18,24-27,30-35,45-46H,9,19-23H2,1-8H3,(H,41,49)(H,42,48)(H,43,50)(H,44,47)/t27-,30+,31-,32-,33-,34-,35-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XKMKASCTPIXULN-STKQPBNXSA-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