General Information of the Compound
| Compound ID |
CP0883489
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Demotensin 1
Show/Hide
|
||||||||||||||||||
| Synonyms |
Demotensin 1
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C48H85N17O10
|
||||||||||||||||||
| Molecular Weight |
1060.317
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(=O)N[C@@H](CC(C)C)C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C48H85N17O10/c1-5-29(4)39(44(72)63-36(46(74)75)23-28(2)3)64-42(70)35(24-30-12-14-32(66)15-13-30)62-43(71)37-11-8-22-65(37)45(73)34(10-7-19-58-48(53)54)61-41(69)33(9-6-18-57-47(51)52)60-38(67)27-59-40(68)31(25-55-20-16-49)26-56-21-17-50/h12-15,28-29,31,33-37,39,55-56,66H,5-11,16-27,49-50H2,1-4H3,(H,59,68)(H,60,67)(H,61,69)(H,62,71)(H,63,72)(H,64,70)(H,74,75)(H4,51,52,57)(H4,53,54,58)/t29-,33-,34-,35-,36-,37-,39-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HMOSHXNVAPZVAT-INYUMPDKSA-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
Clinical Information about the Compound