General Information of the Compound
| Compound ID |
CP0503419
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C40H53N11O7
|
||||||||||||||||||
| Molecular Weight |
799.934
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H53N11O7/c1-25(47-38(57)31(21-27-14-7-3-8-15-27)48-34(53)24-46-33(52)23-41)36(55)51-32(22-28-16-9-4-10-17-28)39(58)49-29(18-11-19-45-40(43)44)37(56)50-30(35(42)54)20-26-12-5-2-6-13-26/h2-10,12-17,25,29-32H,11,18-24,41H2,1H3,(H2,42,54)(H,46,52)(H,47,57)(H,48,53)(H,49,58)(H,50,56)(H,51,55)(H4,43,44,45)/t25-,29-,30-,31-,32-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBSAAMDSCGKHSJ-PKAIDYEGSA-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