General Information of the Compound
| Compound ID |
CP0448848
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propyl]amino]-3-methylbutanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C57H74N14O7
|
||||||||||||||||||
| Molecular Weight |
1067.31
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](CN[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1CN[C@@H](Cc1ccccc1)C(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C57H74N14O7/c1-35(2)51(56(77)67-37(4)53(74)70-49(27-42-31-60-34-65-42)57(78)71-23-13-18-43(71)32-62-46(52(58)73)24-39-16-9-6-10-17-39)63-28-36(3)66-54(75)47(25-40-29-61-45-20-12-11-19-44(40)45)69-55(76)48(26-41-30-59-33-64-41)68-50(72)22-21-38-14-7-5-8-15-38/h5-12,14-17,19-20,29-31,33-37,43,46-49,51,61-63H,13,18,21-28,32H2,1-4H3,(H2,58,73)(H,59,64)(H,60,65)(H,66,75)(H,67,77)(H,68,72)(H,69,76)(H,70,74)/t36-,37-,43-,46-,47-,48-,49-,51-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
INSNWWDNVHAHMZ-YRAQHXCUSA-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