General Information of the Compound
| Compound ID |
CP0930764
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Glu-Thr-Pro-Ala-Cys-Phe-Trp-Lys-Tyr-Cys-Val
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C63H87N13O16S2
|
||||||||||||||||||
| Molecular Weight |
1346.598
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C63H87N13O16S2/c1-33(2)51(63(91)92)74-60(88)48(32-94)73-57(85)45(28-37-19-21-39(78)22-20-37)69-55(83)43(17-10-11-25-64)68-58(86)46(29-38-30-66-42-16-9-8-15-40(38)42)71-56(84)44(27-36-13-6-5-7-14-36)70-59(87)47(31-93)72-53(81)34(3)67-61(89)49-18-12-26-76(49)62(90)52(35(4)77)75-54(82)41(65)23-24-50(79)80/h5-9,13-16,19-22,30,33-35,41,43-49,51-52,66,77-78,93-94H,10-12,17-18,23-29,31-32,64-65H2,1-4H3,(H,67,89)(H,68,86)(H,69,83)(H,70,87)(H,71,84)(H,72,81)(H,73,85)(H,74,88)(H,75,82)(H,79,80)(H,91,92)/t34-,35+,41-,43-,44-,45-,46-,47-,48-,49+,51-,52-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HTZXIIHTBWAEBG-TWIBFZGXSA-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