General Information of the Compound
| Compound ID |
CP0523823
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Pro-Pro(trans-CH2-C6H5)-Trp-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C78H105N19O13
|
||||||||||||||||||
| Molecular Weight |
1516.818
|
||||||||||||||||||
| Canonical SMILES |
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC(Cc2ccccc2)[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C78H105N19O13/c79-36-13-12-27-57(90-72(105)61-28-15-38-94(61)74(107)53(80)25-14-37-86-78(84)85)75(108)95-39-16-29-62(95)71(104)89-56(32-34-65(82)99)68(101)88-55(31-33-64(81)98)69(102)92-59(43-48-20-6-2-7-21-48)70(103)93-60(44-49-22-8-3-9-23-49)76(109)96-40-17-30-63(96)77(110)97-41-35-50(42-47-18-4-1-5-19-47)66(97)73(106)91-58(67(83)100)45-51-46-87-54-26-11-10-24-52(51)54/h1-11,18-24,26,46,50,53,55-63,66,87H,12-17,25,27-45,79-80H2,(H2,81,98)(H2,82,99)(H2,83,100)(H,88,101)(H,89,104)(H,90,105)(H,91,106)(H,92,102)(H,93,103)(H4,84,85,86)/t50?,53-,55-,56-,57-,58-,59-,60-,61-,62-,63-,66-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BVFFMEGUHCQFCU-CLOBBXFDSA-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