General Information of the Compound
| Compound ID |
CP0514003
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,3-benzodioxol-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 |
C34H43N3O6
|
||||||||||||||||||
| Molecular Weight |
589.733
|
||||||||||||||||||
| Canonical SMILES |
O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc2OCOc2c1)C(=O)C1CCCC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H43N3O6/c1-2-16-37(33(39)41-22-25-12-13-30-31(19-25)43-24-42-30)29-14-17-35(18-15-29)20-28-21-36(32(38)26-8-6-7-9-26)23-34(28,40)27-10-4-3-5-11-27/h2-5,10-13,19,26,28-29,40H,1,6-9,14-18,20-24H2/t28-,34-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TYKUXRCFHITKJA-GVYVVWIYSA-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