General Information of the Compound
| Compound ID |
CP0430616
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[(3R,9S,12S,15S,18S,21S,24S,27S)-9,18,21-tribenzyl-12-methyl-2,8,11,14,17,20,23,26-octaoxo-15-propan-2-yl-1,7,10,13,16,19,22,25-octazatricyclo[25.3.0.03,7]triacontan-24-yl]propyl]guanidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C51H67N11O8
|
||||||||||||||||||
| Molecular Weight |
962.166
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C51H67N11O8/c1-31(2)42-48(68)55-32(3)43(63)59-39(30-35-20-11-6-12-21-35)49(69)62-27-15-24-41(62)50(70)61-26-14-23-40(61)47(67)56-36(22-13-25-54-51(52)53)44(64)57-37(28-33-16-7-4-8-17-33)45(65)58-38(46(66)60-42)29-34-18-9-5-10-19-34/h4-12,16-21,31-32,36-42H,13-15,22-30H2,1-3H3,(H,55,68)(H,56,67)(H,57,64)(H,58,65)(H,59,63)(H,60,66)(H4,52,53,54)/t32-,36-,37-,38-,39-,40-,41+,42-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GJBATEAXPBKLPO-XXBPCZIFSA-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