General Information of the Compound
| Compound ID |
CP0424000
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[(1R,2R,6R,10S,11R,15S,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl]-2-[4-(methanesulfonamido)phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H42N2O8S
|
||||||||||||||||||
| Molecular Weight |
674.816
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1C[C@]2(OC3(Cc4ccccc4)O[C@@H]2[C@@H]2C=C(CNC(=O)Cc4ccc(NS(C)(=O)=O)cc4)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]12O3)C(C)=C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H42N2O8S/c1-22(2)35-18-24(4)37-29(33(35)45-36(46-35,47-37)20-26-9-7-6-8-10-26)16-27(19-34(42)30(37)15-23(3)32(34)41)21-38-31(40)17-25-11-13-28(14-12-25)39-48(5,43)44/h6-16,24,29-30,33,39,42H,1,17-21H2,2-5H3,(H,38,40)/t24-,29+,30-,33-,34-,35+,36?,37-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VYADWRNTLWPSQB-ARGYEFFCSA-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: PT01914, Transient receptor potential cation channel subfamily V member 1