General Information of the Compound
| Compound ID |
CP0490964
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]amino]-3-(4-hydroxyphenyl)propyl]amino]propyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-(4-hydroxyphenyl)propyl]amino]-3-(4-hydroxyphenyl)propyl]amino]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C51H70N8O6
|
||||||||||||||||||
| Molecular Weight |
891.171
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](CN[C@H](CN[C@H](CN[C@H](CNCCC(N)=O)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1)NC[C@H](Cc1ccc(O)cc1)NC[C@@H](N)Cc1ccc(O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C51H70N8O6/c1-35(55-32-43(26-38-6-16-48(62)17-7-38)57-30-41(52)24-36-2-12-46(60)13-3-36)29-56-44(27-39-8-18-49(63)19-9-39)33-59-45(28-40-10-20-50(64)21-11-40)34-58-42(31-54-23-22-51(53)65)25-37-4-14-47(61)15-5-37/h2-21,35,41-45,54-64H,22-34,52H2,1H3,(H2,53,65)/t35-,41-,42-,43-,44-,45-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NWBRPVRZKPCMJF-CCDAEPRHSA-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