General Information of the Compound
| Compound ID |
CP0545586
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
dicyclopentyl (2R)-2-[[(2S)-2-[[2-[[(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]pentanedioate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H47N3O10
|
||||||||||||||||||
| Molecular Weight |
657.761
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(\C=C\C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@H](CCC(=O)OC2CCCC2)C(=O)OC2CCCC2)ccc1OC(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H47N3O10/c1-21(2)32(37-30(40)20-35-29(39)17-14-23-13-16-27(45-22(3)38)28(19-23)44-4)33(42)36-26(34(43)47-25-11-7-8-12-25)15-18-31(41)46-24-9-5-6-10-24/h13-14,16-17,19,21,24-26,32H,5-12,15,18,20H2,1-4H3,(H,35,39)(H,36,42)(H,37,40)/b17-14+/t26-,32+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PPPCENKAHIRNBQ-KDZIYPKDSA-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 | |||||||||||||||||||
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