General Information of the Compound
| Compound ID |
CP0429705
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(9S,12S,15S,18R,21S)-15-[3-(diaminomethylideneamino)propyl]-21-(1H-imidazol-5-ylmethyl)-12-(1H-indol-3-ylmethyl)-18-(naphthalen-2-ylmethyl)-6,11,14,17,20,23-hexaoxo-5,10,13,16,19,22-hexazaspiro[3.19]tricosane-9-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C46H55N13O7
|
||||||||||||||||||
| Molecular Weight |
902.03
|
||||||||||||||||||
| Canonical SMILES |
NC(=N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)CC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C46H55N13O7/c47-39(61)33-14-15-38(60)59-46(16-6-17-46)44(66)58-37(22-30-24-50-25-53-30)43(65)56-35(20-26-12-13-27-7-1-2-8-28(27)19-26)41(63)55-34(11-5-18-51-45(48)49)40(62)57-36(42(64)54-33)21-29-23-52-32-10-4-3-9-31(29)32/h1-4,7-10,12-13,19,23-25,33-37,52H,5-6,11,14-18,20-22H2,(H2,47,61)(H,50,53)(H,54,64)(H,55,63)(H,56,65)(H,57,62)(H,58,66)(H,59,60)(H4,48,49,51)/t33-,34-,35+,36-,37-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RQCWCCUAQKMWGM-GJOOVXBSSA-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: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT00911, Melanocyte-stimulating hormone receptor