General Information of the Compound
| Compound ID |
CP0400916
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-4-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-oxobutanoic acid
Show/Hide
|
||||||||||||||||||
| Synonyms |
CHEMBL507653
[D-Asp7,Lys10]N/OFQ(1-13)NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C65H107N23O16
|
||||||||||||||||||
| Molecular Weight |
1466.716
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C65H107N23O16/c1-37(55(96)84-45(24-15-29-75-64(71)72)58(99)83-42(54(70)95)21-9-12-26-66)80-57(98)43(22-10-13-27-67)85-59(100)44(23-11-14-28-68)86-60(101)46(25-16-30-76-65(73)74)87-61(102)48(33-52(93)94)82-51(92)36-79-63(104)53(38(2)89)88-62(103)47(32-40-19-7-4-8-20-40)81-50(91)35-77-49(90)34-78-56(97)41(69)31-39-17-5-3-6-18-39/h3-8,17-20,37-38,41-48,53,89H,9-16,21-36,66-69H2,1-2H3,(H2,70,95)(H,77,90)(H,78,97)(H,79,104)(H,80,98)(H,81,91)(H,82,92)(H,83,99)(H,84,96)(H,85,100)(H,86,101)(H,87,102)(H,88,103)(H,93,94)(H4,71,72,75)(H4,73,74,76)/t37-,38+,41-,42-,43-,44-,45-,46-,47-,48+,53-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RZSPAJQVMVZCJC-YRLNDPIWSA-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