General Information of the Compound
| Compound ID |
CP0527378
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-6-amino-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanoyl]amino]hexanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H53N13O4
|
||||||||||||||||||
| Molecular Weight |
707.885
|
||||||||||||||||||
| Canonical SMILES |
NCCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc1ccc(cc1)C(N)=N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H53N13O4/c35-17-5-4-10-27(47-31(50)26(12-7-19-43-34(40)41)45-28(48)20-22-8-2-1-3-9-22)32(51)46-25(11-6-18-42-33(38)39)30(49)44-21-23-13-15-24(16-14-23)29(36)37/h1-3,8-9,13-16,25-27H,4-7,10-12,17-21,35H2,(H3,36,37)(H,44,49)(H,45,48)(H,46,51)(H,47,50)(H4,38,39,42)(H4,40,41,43)/t25-,26-,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HJGCQOQUSMZFFH-QKDODKLFSA-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