General Information of the Compound
Compound ID |
CP0449104
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
(S)-2-[(S)-3-(3-Fluoro-phenyl)-2-(toluene-4-sulfonylamino)-propionylamino]-5-guanidino-pentanoic acid methyl ester
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C23H30FN5O5S
|
||||||||||||||||||
Molecular Weight |
507.588
|
||||||||||||||||||
Canonical SMILES |
COC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cccc(F)c1)NS(=O)(=O)c1ccc(C)cc1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C23H30FN5O5S/c1-15-8-10-18(11-9-15)35(32,33)29-20(14-16-5-3-6-17(24)13-16)21(30)28-19(22(31)34-2)7-4-12-27-23(25)26/h3,5-6,8-11,13,19-20,29H,4,7,12,14H2,1-2H3,(H,28,30)(H4,25,26,27)/t19-,20-/m0/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
STMYBCNSAXFTCM-PMACEKPBSA-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