General Information of the Compound
| Compound ID |
CP0398719
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-[3-[5-[(E)-benzylideneamino]oxypentyl]imidazol-4-yl]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutan-2-yl] dihydrogen phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H58N9O12P
|
||||||||||||||||||
| Molecular Weight |
863.907
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCO\N=C\c1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)OP(O)(O)=O)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H58N9O12P/c1-24(2)18-29(43-38(54)32-14-11-16-47(32)26(4)49)35(51)42-30(36(52)44-31(22-48)37(53)45-33(34(39)50)25(3)59-60(55,56)57)19-28-21-40-23-46(28)15-9-6-10-17-58-41-20-27-12-7-5-8-13-27/h5,7-8,12-13,20-21,23-25,29-33,48H,6,9-11,14-19,22H2,1-4H3,(H2,39,50)(H,42,51)(H,43,54)(H,44,52)(H,45,53)(H2,55,56,57)/b41-20+/t25-,29+,30+,31+,32+,33+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NDZJFAYZPBTTDL-IQJHCYRHSA-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