General Information of the Compound
| Compound ID |
CP0509965
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL515717
Show/Hide
|
||||||||||||||||||
| Formula |
C22H30F3NO3
|
||||||||||||||||||
| Molecular Weight |
413.48
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@@]1(O)CC[C@@H](CC1)N(C1CC1)C(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H30F3NO3/c1-14(2)21(29)12-10-18(11-13-21)26(17-8-9-17)19(27)15-4-6-16(7-5-15)20(3,28)22(23,24)25/h4-7,14,17-18,28-29H,8-13H2,1-3H3/t18-,20-,21+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FRTCCDLOIBDORK-SESVDKBCSA-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 | |||||||||||||||||||
| 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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1