General Information of the Compound
| Compound ID |
CP0506633
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2S)-5-(diaminomethylideneamino)-2-[(2-phenylacetyl)amino]pentanoyl]pyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H48N12O4
|
||||||||||||||||||
| Molecular Weight |
676.827
|
||||||||||||||||||
| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccccc1)C(=O)NCc1ccc(cc1)C(N)=N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H48N12O4/c34-28(35)23-14-12-22(13-15-23)20-42-29(47)24(9-4-16-40-32(36)37)44-30(48)26-11-6-18-45(26)31(49)25(10-5-17-41-33(38)39)43-27(46)19-21-7-2-1-3-8-21/h1-3,7-8,12-15,24-26H,4-6,9-11,16-20H2,(H3,34,35)(H,42,47)(H,43,46)(H,44,48)(H4,36,37,40)(H4,38,39,41)/t24-,25-,26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UVWCKWRKMTWVNX-GSDHBNRESA-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