General Information of the Compound
| Compound ID |
CP0402881
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
((S)-1-{N'-[(2S,3S)-2-Hydroxy-3-((S)-2-methoxycarbonylamino-3,3-dimethyl-butyrylamino)-4-phenyl-butyl]-N'-[4-(2-methyl-2H-tetrazol-5-yl)-benzyl]-hydrazinocarbonyl}-2,2-dimethyl-propyl)-carbamic acid methyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H51N9O7
|
||||||||||||||||||
| Molecular Weight |
709.849
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1nnn(C)n1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H51N9O7/c1-34(2,3)27(37-32(48)50-8)30(46)36-25(19-22-13-11-10-12-14-22)26(45)21-44(41-31(47)28(35(4,5)6)38-33(49)51-9)20-23-15-17-24(18-16-23)29-39-42-43(7)40-29/h10-18,25-28,45H,19-21H2,1-9H3,(H,36,46)(H,37,48)(H,38,49)(H,41,47)/t25-,26-,27+,28+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BFKMYBHUMHOWJH-YVHASNINSA-N
|
||||||||||||||||||
| CAS |
198904-13-1
|
||||||||||||||||||
| 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
Protein ID: PT00004, Pol polyprotein
Protein ID: PT00005, Reverse transcriptase/RNaseH