General Information of the Compound
| Compound ID |
CP0864968
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5aR,5bS,7aS,10aS,10bR)-8-(5-fluoropyridin-3-yl)-5a,7a-dimethyl-3,4,5,5a,5b,6,7,7a,10,10a,10b,10c,11,11a-tetradecahydro-2H-cyclopenta[5,6]cyclopropa[3,4]naphtho[1,2-d]azepin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29FN2O
|
||||||||||||||||||
| Molecular Weight |
392.518
|
||||||||||||||||||
| Canonical SMILES |
C[C@]12CCNC(=O)C=C1C1CC1[C@@H]1[C@@H]2CC[C@]2(C)C(c3cncc(F)c3)=CC[C@@H]12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29FN2O/c1-24-6-5-20-23(19(24)4-3-18(24)14-9-15(26)13-27-12-14)17-10-16(17)21-11-22(29)28-8-7-25(20,21)2/h3,9,11-13,16-17,19-20,23H,4-8,10H2,1-2H3,(H,28,29)/t16?,17?,19-,20-,23-,24+,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SBBHPJAOSNHQBK-ZBGLVURMSA-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