General Information of the Compound
| Compound ID |
CP0493573
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2R)-1-[[(2R)-1-amino-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-3-(4-iodophenyl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H43IN10O5
|
||||||||||||||||||
| Molecular Weight |
822.709
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H43IN10O5/c1-21(48)44-31(18-27-19-41-20-43-27)35(52)45-28(7-4-14-42-36(39)40)33(50)47-30(16-22-9-12-26(37)13-10-22)34(51)46-29(32(38)49)17-23-8-11-24-5-2-3-6-25(24)15-23/h2-3,5-6,8-13,15,19-20,28-31H,4,7,14,16-18H2,1H3,(H2,38,49)(H,41,43)(H,44,48)(H,45,52)(H,46,51)(H,47,50)(H4,39,40,42)/t28-,29+,30+,31-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AABIUXXJGLXQTM-KQFVITFDSA-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: PT02450, Melanocortin receptor 3
Protein ID: PT01431, Melanocortin receptor 4
Protein ID: PT01440, Melanocyte-stimulating hormone receptor