General Information of the Compound
| Compound ID |
CP0465062
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-[3-[5-[(E)-(2-fluoro-6-phenoxyphenyl)methylideneamino]oxypentyl]imidazol-4-yl]propanoyl]amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutan-2-yl] dihydrogen phosphate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C44H61FN9O13P
|
||||||||||||||||||
| Molecular Weight |
973.994
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1cncn1CCCCCO\N=C\c1c(F)cccc1Oc1ccccc1)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/C44H61FN9O13P/c1-27(2)21-34(50-44(61)37-16-12-19-54(37)29(4)56)41(58)49-35(42(59)51-36(25-55)43(60)52-39(40(46)57)28(3)67-68(62,63)64)22-30-23-47-26-53(30)18-9-6-10-20-65-48-24-32-33(45)15-11-17-38(32)66-31-13-7-5-8-14-31/h5,7-8,11,13-15,17,23-24,26-28,34-37,39,55H,6,9-10,12,16,18-22,25H2,1-4H3,(H2,46,57)(H,49,58)(H,50,61)(H,51,59)(H,52,60)(H2,62,63,64)/b48-24+/t28-,34+,35+,36+,37+,39+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QINOMHBLNDVOTP-GXQKTUKWSA-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