General Information of the Compound
| Compound ID |
CP0563690
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-methoxy-4-(6-methoxynaphthalen-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H50N4O9S
|
||||||||||||||||||
| Molecular Weight |
726.893
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2cc(ccc2c1)[C@@]1(C[C@H](N(C1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H50N4O9S/c1-10-24-19-37(24,32(44)40-51(46,47)27-15-16-27)39-30(42)28-20-36(49-9,25-13-11-23-18-26(48-8)14-12-22(23)17-25)21-41(28)31(43)29(34(2,3)4)38-33(45)50-35(5,6)7/h10-14,17-18,24,27-29H,1,15-16,19-21H2,2-9H3,(H,38,45)(H,39,42)(H,40,44)/t24-,28+,29-,36+,37-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NPDJDVOYYRDYDC-IBDGMSGISA-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