General Information of the Compound
| Compound ID |
CP0381480
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-Methoxy-phenyl)-1-pentanoylamino-cyclohexanecarboxylic acid ((R)-1-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-(1H-indol-3-yl)-ethylcarbamoyl]-4-guanidino-butylcarbamoyl}-2-phenyl-ethyl)-amide
Show/Hide
|
||||||||||||||||||
| Formula |
C47H62N10O7
|
||||||||||||||||||
| Molecular Weight |
879.076
|
||||||||||||||||||
| Canonical SMILES |
CCCCC(=O)N[C@@]1(CC[C@@H](CC1)c1cccc(OC)c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C47H62N10O7/c1-3-4-19-41(59)57-47(22-20-31(21-23-47)32-14-10-15-34(26-32)64-2)45(63)56-38(25-30-12-6-5-7-13-30)44(62)54-37(18-11-24-51-46(49)50)43(61)55-39(42(60)53-29-40(48)58)27-33-28-52-36-17-9-8-16-35(33)36/h5-10,12-17,26,28,31,37-39,52H,3-4,11,18-25,27,29H2,1-2H3,(H2,48,58)(H,53,60)(H,54,62)(H,55,61)(H,56,63)(H,57,59)(H4,49,50,51)/t31-,37-,38+,39-,47+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PVRLVOHGLYMZLN-GXFFPEOYSA-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 | |||||||||||||||||||
| 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: PT00914, Melanocortin receptor 4
Protein ID: PT00911, Melanocyte-stimulating hormone receptor