General Information of the Compound
| Compound ID |
CP0516272
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-3-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2R)-1-amino-3-(4-methylphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H40N6O7
|
||||||||||||||||||
| Molecular Weight |
668.751
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H40N6O7/c1-21-12-14-24(15-13-21)16-28(33(37)46)40-36(49)31(19-32(44)45)42-34(47)29(17-23-8-4-3-5-9-23)41-35(48)30(39-22(2)43)18-25-20-38-27-11-7-6-10-26(25)27/h3-15,20,28-31,38H,16-19H2,1-2H3,(H2,37,46)(H,39,43)(H,40,49)(H,41,48)(H,42,47)(H,44,45)/t28-,29+,30+,31+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VBWCWPJWZXWWHK-BHSUFKTOSA-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
Protein ID: PT00958, Cholecystokinin receptor type A
Protein ID: PT01124, Gastrin/cholecystokinin type B receptor