General Information of the Compound
| Compound ID |
CP0406553
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}butyl]-4-methyl-2-{2-[(2S)-2-[(2,3,4,5,6-pentafluorophenyl)formamido]-3-phenylpropanamido]acetamido}pentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C41H47F5N10O6
|
||||||||||||||||||
| Molecular Weight |
870.881
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C41H47F5N10O6/c1-20(2)15-27(39(61)54-25(13-8-14-50-41(48)49)38(60)55-26(36(47)58)17-22-18-51-24-12-7-6-11-23(22)24)53-29(57)19-52-37(59)28(16-21-9-4-3-5-10-21)56-40(62)30-31(42)33(44)35(46)34(45)32(30)43/h3-7,9-12,18,20,25-28,51H,8,13-17,19H2,1-2H3,(H2,47,58)(H,52,59)(H,53,57)(H,54,61)(H,55,60)(H,56,62)(H4,48,49,50)/t25-,26-,27-,28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MOVZMIZZWQYIST-LJWNLINESA-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