General Information of the Compound
| Compound ID |
CP0567389
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]-2-[[[(2S)-2-[3-(1H-indol-3-yl)propanoylamino]-3-phenylpropanoyl]amino]carbamoylamino]-4-methylpentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C45H58N12O6
|
||||||||||||||||||
| Molecular Weight |
863.037
|
||||||||||||||||||
| Canonical SMILES |
CNC(=N)NCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C45H58N12O6/c1-27(2)22-37(42(61)53-35(18-11-21-49-44(47)48-3)41(60)54-36(40(46)59)24-30-26-51-34-17-10-8-15-32(30)34)55-45(63)57-56-43(62)38(23-28-12-5-4-6-13-28)52-39(58)20-19-29-25-50-33-16-9-7-14-31(29)33/h4-10,12-17,25-27,35-38,50-51H,11,18-24H2,1-3H3,(H2,46,59)(H,52,58)(H,53,61)(H,54,60)(H,56,62)(H3,47,48,49)(H2,55,57,63)/t35-,36-,37-,38-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NLJMPYOIKKDCPI-ZQWQDMLBSA-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