General Information of the Compound
| Compound ID |
CP0090925
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,1,3-benzoxadiazol-5-ylmethyl N-[1-[[(3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl]methyl]piperidin-4-yl]-N-prop-2-enylcarbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H41N5O5
|
||||||||||||||||||
| Molecular Weight |
587.721
|
||||||||||||||||||
| Canonical SMILES |
O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc2nonc2c1)C(=O)C1CCCC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H41N5O5/c1-2-16-38(32(40)42-22-24-12-13-29-30(19-24)35-43-34-29)28-14-17-36(18-15-28)20-27-21-37(31(39)25-8-6-7-9-25)23-33(27,41)26-10-4-3-5-11-26/h2-5,10-13,19,25,27-28,41H,1,6-9,14-18,20-23H2/t27-,33-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FVLUABNJOZKWTR-CMVGPNDKSA-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