General Information of the Compound
| Compound ID |
CP0412530
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-fluorophenyl)-4-methyl-2-[4-[(2S)-2-[(3R)-3-methylpyrrolidin-1-yl]propoxy]phenyl]-2H-chromen-6-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H32FNO3
|
||||||||||||||||||
| Molecular Weight |
473.588
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1ccc(F)cc1)N1CC[C@@H](C)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H32FNO3/c1-19-14-15-32(17-19)20(2)18-34-26-11-6-23(7-12-26)30-29(22-4-8-24(31)9-5-22)21(3)27-16-25(33)10-13-28(27)35-30/h4-13,16,19-20,30,33H,14-15,17-18H2,1-3H3/t19-,20+,30?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YKDMPXQGNUAFHO-PGJZWCTDSA-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