General Information of the Compound
| Compound ID |
CP0449113
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[(2R)-3-[[1-[[(2S)-4-amino-1-(3-naphthalen-1-ylpropylamino)-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-2-(oxaloamino)-3-oxopropyl]phenyl]-2,2-difluoroacetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H41F2N5O9
|
||||||||||||||||||
| Molecular Weight |
737.757
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)C[C@H](NC(=O)C1(CCCCC1)NC(=O)[C@@H](Cc1ccc(cc1)C(F)(F)C(O)=O)NC(=O)C(O)=O)C(=O)NCCCc1cccc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H41F2N5O9/c38-37(39,35(52)53)25-15-13-22(14-16-25)20-27(42-32(48)33(49)50)31(47)44-36(17-4-1-5-18-36)34(51)43-28(21-29(40)45)30(46)41-19-7-11-24-10-6-9-23-8-2-3-12-26(23)24/h2-3,6,8-10,12-16,27-28H,1,4-5,7,11,17-21H2,(H2,40,45)(H,41,46)(H,42,48)(H,43,51)(H,44,47)(H,49,50)(H,52,53)/t27-,28+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NLLHKIHZRXWCPN-IZLXSDGUSA-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