General Information of the Compound
| Compound ID |
CP0957141
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Ac-(Glu-Ala-Glu-Lys)-Leu-Arg-Lys-Leu-Nle-Glu-Ile-Ile-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C66H115N19O19
|
||||||||||||||||||
| Molecular Weight |
1478.76
|
||||||||||||||||||
| Canonical SMILES |
CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)CC)[C@@H](C)CC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C66H115N19O19/c1-10-13-19-39(57(96)81-45(25-28-51(91)92)62(101)85-53(36(7)12-3)65(104)84-52(54(69)93)35(6)11-2)79-63(102)46(32-34(4)5)82-59(98)40(20-14-16-29-67)77-58(97)42(22-18-31-73-66(70)71)80-64(103)47(33-48(68)87)83-60(99)41-21-15-17-30-72-49(88)26-23-43(75-38(9)86)56(95)74-37(8)55(94)76-44(61(100)78-41)24-27-50(89)90/h34-37,39-47,52-53H,10-33,67H2,1-9H3,(H2,68,87)(H2,69,93)(H,72,88)(H,74,95)(H,75,86)(H,76,94)(H,77,97)(H,78,100)(H,79,102)(H,80,103)(H,81,96)(H,82,98)(H,83,99)(H,84,104)(H,85,101)(H,89,90)(H,91,92)(H4,70,71,73)/t35-,36-,37-,39-,40-,41-,42?,43-,44-,45-,46-,47-,52-,53-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NZOVQNOJDVWLFK-VRVUEDGUSA-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