General Information of the Compound
| Compound ID |
CP0476929
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-1-[2-[4-[6-hydroxy-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-2-yl]phenoxy]ethyl]pyrrolidine-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H28N2O4
|
||||||||||||||||||
| Molecular Weight |
468.553
|
||||||||||||||||||
| Canonical SMILES |
CC1=C(C(Oc2ccc(O)cc12)c1ccc(OCCN2CC[C@H](C2)C#N)cc1)c1cccc(O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H28N2O4/c1-19-26-16-24(33)7-10-27(26)35-29(28(19)22-3-2-4-23(32)15-22)21-5-8-25(9-6-21)34-14-13-31-12-11-20(17-30)18-31/h2-10,15-16,20,29,32-33H,11-14,18H2,1H3/t20-,29?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GBGBYTUKANTAHB-OORIHMLWSA-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