General Information of the Compound
| Compound ID |
CP0960799
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S,5S,10R,13S,17S)-17-Hydroxy-2-methanesulfonyl-10,13-dimethyl-tetradecahydro-20-oxa-cyclopropa[4,5]cyclopenta[a]phenanthren-3-one
Show/Hide
|
||||||||||||||||||
| Formula |
C20H30O5S
|
||||||||||||||||||
| Molecular Weight |
382.522
|
||||||||||||||||||
| Canonical SMILES |
C[C@]12CCC3C(CC[C@@]45O[C@H]4C(=O)C(S(C)(=O)=O)C[C@]35C)C1CC[C@@H]2O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H30O5S/c1-18-8-7-13-11(12(18)4-5-15(18)21)6-9-20-17(25-20)16(22)14(26(3,23)24)10-19(13,20)2/h11-15,17,21H,4-10H2,1-3H3/t11?,12?,13?,14?,15-,17-,18-,19+,20+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FELAYLQGNMVPPT-QRMLDTHYSA-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
|
||||||||||||||||||
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