General Information of the Compound
| Compound ID |
CP0465252
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,10R,13S,17R)-10,13-Dimethyl-17-pyrimidin-4-yl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H32N2O
|
||||||||||||||||||
| Molecular Weight |
352.522
|
||||||||||||||||||
| Canonical SMILES |
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@H]2c1ccncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H32N2O/c1-22-10-7-16(26)13-15(22)3-4-17-18-5-6-20(21-9-12-24-14-25-21)23(18,2)11-8-19(17)22/h3,9,12,14,16-20,26H,4-8,10-11,13H2,1-2H3/t16-,17?,18?,19?,20-,22-,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OPZZGUYTLJJHBP-DCNGOEBQSA-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