General Information of the Compound
| Compound ID |
CP0572666
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dimethoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-pyrrolidin-1-ylpentan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H51NO3
|
||||||||||||||||||
| Molecular Weight |
473.742
|
||||||||||||||||||
| Canonical SMILES |
CO[C@@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](OC)[C@H]1[C@@H]3CC[C@H]([C@H](C)CCC(=O)N4CCCC4)[C@@]3(C)CC[C@H]21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H51NO3/c1-20(8-11-27(32)31-16-6-7-17-31)23-9-10-24-28-25(13-15-30(23,24)3)29(2)14-12-22(33-4)18-21(29)19-26(28)34-5/h20-26,28H,6-19H2,1-5H3/t20-,21+,22-,23-,24+,25+,26-,28+,29+,30-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CEBHSTUSUKFQEF-KIBSRLPBSA-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