General Information of the Compound
| Compound ID |
CP0856483
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(3-pyridyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-5-[[(1S)-1-(1H-indol-3-ylmethyl)-2-(methylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C45H50N8O9
|
||||||||||||||||||
| Molecular Weight |
846.942
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cccnc1)NC(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C45H50N8O9/c1-27(54)49-36(23-30-11-8-20-47-25-30)43(60)51-38(22-29-14-16-32(55)17-15-29)45(62)52-37(21-28-9-4-3-5-10-28)44(61)50-35(18-19-40(56)57)42(59)53-39(41(58)46-2)24-31-26-48-34-13-7-6-12-33(31)34/h3-17,20,25-26,35-39,48,55H,18-19,21-24H2,1-2H3,(H,46,58)(H,49,54)(H,50,61)(H,51,60)(H,52,62)(H,53,59)(H,56,57)/t35-,36-,37-,38-,39-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUZYLVCHMSDFDA-MQDBWYGVSA-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