General Information of the Compound
| Compound ID |
CP0201809
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl 3,3-dimethylbutylcarbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H42FNO6
|
||||||||||||||||||
| Molecular Weight |
519.654
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)NCCC(C)(C)C)C(=O)CO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H42FNO6/c1-17-13-21-20-8-7-18-14-19(33)9-10-26(18,5)28(20,30)22(34)15-27(21,6)29(17,23(35)16-32)37-24(36)31-12-11-25(2,3)4/h9-10,14,17,20-22,32,34H,7-8,11-13,15-16H2,1-6H3,(H,31,36)/t17-,20-,21-,22-,26-,27-,28-,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YEJONVJDGFHPKR-REGDIAEZSA-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
Protein ID: PT00848, Interstitial collagenase
Protein ID: PT06942, Tyrosine aminotransferase