General Information of the Compound
| Compound ID |
CP0476044
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2R,3S)-3-[[(2S)-2-[[(2S)-3-[3-[6-[(E)-[2-(N-acetylanilino)-1,3-thiazol-4-yl]methylideneamino]oxyhexyl]imidazol-4-yl]-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutan-2-yl] dihydrogen phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C44H64N11O13PS
|
||||||||||||||||||
| Molecular Weight |
1018.101
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCCO\N=C\c1csc(n1)N(C(C)=O)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/C44H64N11O13PS/c1-27(2)20-34(50-43(63)37-16-13-18-54(37)29(4)57)40(60)49-35(41(61)51-36(24-56)42(62)52-38(39(45)59)28(3)68-69(64,65)66)21-33-23-46-26-53(33)17-11-6-7-12-19-67-47-22-31-25-70-44(48-31)55(30(5)58)32-14-9-8-10-15-32/h8-10,14-15,22-23,25-28,34-38,56H,6-7,11-13,16-21,24H2,1-5H3,(H2,45,59)(H,49,60)(H,50,63)(H,51,61)(H,52,62)(H2,64,65,66)/b47-22+/t28-,34+,35+,36+,37+,38+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FSCIFRALUGPNIF-VUIPXDDYSA-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