General Information of the Compound
| Compound ID |
CP0895356
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Ac-(Glu-Ala-His-Lys)-Leu-Lys-Lys-Leu-Nle-Glu-Ile-Ile-NH2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C67H115N19O17
|
||||||||||||||||||
| Molecular Weight |
1458.773
|
||||||||||||||||||
| Canonical SMILES |
CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)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](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/C67H115N19O17/c1-10-13-20-42(59(95)81-47(25-27-53(90)91)63(99)86-55(38(7)12-3)67(103)85-54(56(71)92)37(6)11-2)78-64(100)48(31-36(4)5)83-61(97)44(22-15-18-29-69)77-60(96)43(21-14-17-28-68)80-66(102)50(33-51(70)88)84-62(98)45-23-16-19-30-73-52(89)26-24-46(76-40(9)87)58(94)75-39(8)57(93)82-49(65(101)79-45)32-41-34-72-35-74-41/h34-39,42-50,54-55H,10-33,68-69H2,1-9H3,(H2,70,88)(H2,71,92)(H,72,74)(H,73,89)(H,75,94)(H,76,87)(H,77,96)(H,78,100)(H,79,101)(H,80,102)(H,81,95)(H,82,93)(H,83,97)(H,84,98)(H,85,103)(H,86,99)(H,90,91)/t37-,38-,39-,42-,43-,44-,45-,46-,47-,48-,49-,50-,54-,55-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IUXLYIUUAHIRGL-QBCIHCDDSA-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