General Information of the Compound
| Compound ID |
CP0533682
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(5-methylpyridin-3-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]pyridazine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H36N4O
|
||||||||||||||||||
| Molecular Weight |
468.645
|
||||||||||||||||||
| Canonical SMILES |
Cc1cncc(c1)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(=O)c1ccnnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H36N4O/c1-19-14-21(17-31-16-19)25-6-7-26-24-5-4-22-15-23(34-28(35)20-10-13-32-33-18-20)8-11-29(22,2)27(24)9-12-30(25,26)3/h4,6,10,13-14,16-18,23-24,26-27H,5,7-9,11-12,15H2,1-3H3,(H,34,35)/t23-,24-,26-,27-,29-,30+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MWXOATJERWOEPV-LWHNIQRHSA-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