General Information of the Compound
| Compound ID |
CP0484621
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-2-[[(1R)-1-carboxy-2-[1-[5-[[2-[(3-iodobenzoyl)amino]acetyl]amino]pentyl]-2,5-dioxopyrrolidin-3-yl]sulfanylethyl]carbamoylamino]pentanedioic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34IN5O11S
|
||||||||||||||||||
| Molecular Weight |
763.564
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CC[C@H](NC(=O)N[C@@H](CSC1CC(=O)N(CCCCCNC(=O)CNC(=O)c2cccc(I)c2)C1=O)C(O)=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34IN5O11S/c28-16-6-4-5-15(11-16)23(38)30-13-20(34)29-9-2-1-3-10-33-21(35)12-19(24(33)39)45-14-18(26(42)43)32-27(44)31-17(25(40)41)7-8-22(36)37/h4-6,11,17-19H,1-3,7-10,12-14H2,(H,29,34)(H,30,38)(H,36,37)(H,40,41)(H,42,43)(H2,31,32,44)/t17-,18-,19?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SFLMEXCPNWBKAI-ADUPEVMXSA-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