General Information of the Compound
| Compound ID |
CP0192440
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-5-guanidino-N-((S)-1-((S)-5-guanidino-1-(3-guanidinopropylamino)-1-oxopentan-2-ylamino)-3-methyl-1-oxobutan-2-yl)-2-(2-phenylacetamido)pentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H53N13O4
|
||||||||||||||||||
| Molecular Weight |
659.841
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCCCCN=C(N)N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H53N13O4/c1-19(2)24(27(47)42-21(12-8-16-39-29(33)34)25(45)37-14-6-7-15-38-28(31)32)43-26(46)22(13-9-17-40-30(35)36)41-23(44)18-20-10-4-3-5-11-20/h3-5,10-11,19,21-22,24H,6-9,12-18H2,1-2H3,(H,37,45)(H,41,44)(H,42,47)(H,43,46)(H4,31,32,38)(H4,33,34,39)(H4,35,36,40)/t21-,22-,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ACPMDCNBPZRQGO-FIXSFTCYSA-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
Protein ID: PT06793, Neuroendocrine convertase 1
Protein ID: PT06957, Neuroendocrine convertase 2
Protein ID: PT04219, Proprotein convertase subtilisin/kexin type 5
Protein ID: PT04551, Proprotein convertase subtilisin/kexin type 6
Protein ID: PT03149, Proprotein convertase subtilisin/kexin type 7