General Information of the Compound
| Compound ID |
CP0491712
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pyrazine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H64N12O7
|
||||||||||||||||||
| Molecular Weight |
788.996
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)[C@@H](C)CC)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H64N12O7/c1-9-22(7)29(31(38)51)48-33(53)25(16-20(3)4)46-32(52)24(12-11-13-43-37(39)40)45-28(50)19-44-36(56)30(23(8)10-2)49-34(54)26(17-21(5)6)47-35(55)27-18-41-14-15-42-27/h14-15,18,20-26,29-30H,9-13,16-17,19H2,1-8H3,(H2,38,51)(H,44,56)(H,45,50)(H,46,52)(H,47,55)(H,48,53)(H,49,54)(H4,39,40,43)/t22-,23-,24-,25-,26-,29-,30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MUNAFLLPRJXMKC-MBBAHBRISA-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