General Information of the Compound
| Compound ID |
CP0407104
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl N-[(2S)-1-[[(8S,9S,10R,11S,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]amino]-3-hydroxypropan-2-yl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H46N2O5
|
||||||||||||||||||
| Molecular Weight |
502.696
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](C[C@]12C)NC[C@@H](CO)NC(=O)OC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H46N2O5/c1-17(33)22-9-10-23-21-8-7-18-13-20(34)11-12-28(18,5)25(21)24(14-29(22,23)6)30-15-19(16-32)31-26(35)36-27(2,3)4/h13,19,21-25,30,32H,7-12,14-16H2,1-6H3,(H,31,35)/t19-,21-,22+,23-,24-,25+,28-,29+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YUDWCNHAOLNFDB-QEDGXHOQSA-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