General Information of the Compound
| Compound ID |
CP0543013
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3S,8R,9S,10R,13S,14S)-17-(benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]pyridazine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H35N5O
|
||||||||||||||||||
| Molecular Weight |
493.655
|
||||||||||||||||||
| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)NC(=O)c3ccnnc3)[C@@H]1CC=C2n1cnc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H35N5O/c1-30-14-11-22(35-29(37)20-13-16-33-34-18-20)17-21(30)7-8-23-24-9-10-28(31(24,2)15-12-25(23)30)36-19-32-26-5-3-4-6-27(26)36/h3-7,10,13,16,18-19,22-25H,8-9,11-12,14-15,17H2,1-2H3,(H,35,37)/t22-,23-,24-,25-,30-,31-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LFDQERITJWSRCX-HKSHTPPISA-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 | |||||||||||||||||||
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