General Information of the Compound
| Compound ID |
CP0856345
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N1-{9-Amino-4-diphenylacetylamino-3,11-dioxo-1-[4-(ureidomethyl)phenyl]-2,8,10,12-tetraazatetradec-9-en-14-yl}-N4-(2-aminoethyl)succinamidebis(hydrotrifluoroacetate)
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C40H52F3N11O8
|
||||||||||||||||||
| Molecular Weight |
871.919
|
||||||||||||||||||
| Canonical SMILES |
NCCNC(=O)CCC(=O)NCCNC(=O)/N=C(\N)NCCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(CNC(N)=O)cc1.O=C(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H51N11O6.C2HF3O2/c39-19-21-42-31(50)17-18-32(51)43-22-23-45-38(55)49-36(40)44-20-7-12-30(34(52)46-24-26-13-15-27(16-14-26)25-47-37(41)54)48-35(53)33(28-8-3-1-4-9-28)29-10-5-2-6-11-29;3-2(4,5)1(6)7/h1-6,8-11,13-16,30,33H,7,12,17-25,39H2,(H,42,50)(H,43,51)(H,46,52)(H,48,53)(H3,41,47,54)(H4,40,44,45,49,55);(H,6,7)/t30-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MSFCSRGFBOQVFY-CZCBIWLKSA-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: PT02259, Neuropeptide Y receptor type 1
Protein ID: PT01611, Neuropeptide Y receptor type 2
Protein ID: PT01909, Neuropeptide Y receptor type 4