General Information of the Compound
| Compound ID |
CP0464949
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Pro-MePhe(pBz)-Trp-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C93H123N19O15S
|
||||||||||||||||||
| Molecular Weight |
1779.192
|
||||||||||||||||||
| Canonical SMILES |
CN([C@@H](Cc1ccc(Cc2ccccc2)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)N1C2CC3CCC2(CS1(=O)=O)C3(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C93H123N19O15S/c1-92(2)63-42-43-93(92)56-128(126,127)112(77(93)54-63)75(30-17-45-100-91(98)99)90(125)110-47-19-32-73(110)85(120)104-68(29-15-16-44-94)87(122)109-46-18-31-72(109)84(119)103-67(39-41-79(96)114)81(116)102-66(38-40-78(95)113)82(117)106-70(50-58-23-9-5-10-24-58)83(118)107-71(51-59-25-11-6-12-26-59)88(123)111-48-20-33-74(111)89(124)108(3)76(52-61-36-34-60(35-37-61)49-57-21-7-4-8-22-57)86(121)105-69(80(97)115)53-62-55-101-65-28-14-13-27-64(62)65/h4-14,21-28,34-37,55,63,66-77,101H,15-20,29-33,38-54,56,94H2,1-3H3,(H2,95,113)(H2,96,114)(H2,97,115)(H,102,116)(H,103,119)(H,104,120)(H,105,121)(H,106,117)(H,107,118)(H4,98,99,100)/t63?,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77?,93?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SQGSMVRFSUZJTG-UBPNEBOYSA-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