General Information of the Compound
| Compound ID |
CP0251826
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,3R)-1-(4-chlorophenyl)-2-(2-hydroxyethyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21ClN2O2
|
||||||||||||||||||
| Molecular Weight |
356.853
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3ccc(O)cc23)[C@H](N1CCO)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21ClN2O2/c1-12-10-17-16-11-15(25)6-7-18(16)22-19(17)20(23(12)8-9-24)13-2-4-14(21)5-3-13/h2-7,11-12,20,22,24-25H,8-10H2,1H3/t12-,20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NFYZDYJVMPMJMA-MPBGBICISA-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
Protein ID: PT00886, Estrogen receptor
Protein ID: PT01172, Progesterone receptor
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000083 | MCF-7 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 31622.78 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|