General Information of the Compound
| Compound ID |
CP0049970
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,4R,5S)-5-(4-Chloro-phenyl)-2,2,4-trimethyl-2,3,4,5-tetrahydro-1H-6-oxa-1-aza-chrysen-3-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24ClNO2
|
||||||||||||||||||
| Molecular Weight |
405.925
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1[C@H](O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4ccc(Cl)cc4)c3c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24ClNO2/c1-14-21-19(27-25(2,3)24(14)28)13-12-18-17-6-4-5-7-20(17)29-23(22(18)21)15-8-10-16(26)11-9-15/h4-14,23-24,27-28H,1-3H3/t14-,23+,24+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NTYFVXJANQIJET-HMCSHOMXSA-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