General Information of the Compound
| Compound ID |
CP0942688
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Ac-(Glu-Ala-His-Lys)-Leu-Gly-Lys-Leu-Nle-Glu-Ile-Ile-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C63H106N18O17
|
||||||||||||||||||
| Molecular Weight |
1387.65
|
||||||||||||||||||
| Canonical SMILES |
CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=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](Cc2c[nH]cn2)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/C63H106N18O17/c1-10-13-18-40(58(93)76-43(22-24-50(86)87)60(95)81-52(35(7)12-3)63(98)80-51(53(66)88)34(6)11-2)74-61(96)44(27-33(4)5)78-57(92)39(19-14-16-25-64)73-49(85)31-69-55(90)46(29-47(65)83)79-59(94)41-20-15-17-26-68-48(84)23-21-42(72-37(9)82)56(91)71-36(8)54(89)77-45(62(97)75-41)28-38-30-67-32-70-38/h30,32-36,39-46,51-52H,10-29,31,64H2,1-9H3,(H2,65,83)(H2,66,88)(H,67,70)(H,68,84)(H,69,90)(H,71,91)(H,72,82)(H,73,85)(H,74,96)(H,75,97)(H,76,93)(H,77,89)(H,78,92)(H,79,94)(H,80,98)(H,81,95)(H,86,87)/t34-,35-,36-,39-,40-,41-,42-,43-,44-,45-,46-,51-,52-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KQYGNLQIGHGMME-UVDZHBNNSA-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