General Information of the Compound
| Compound ID |
CP0562701
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-[2-[2-[2-[2-[2-[2-[4-[2-[2-[7-hydroxy-7-[(3S,8S,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]octoxy]ethoxy]ethoxymethyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfonyl]benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C64H91Cl2N5O13S
|
||||||||||||||||||
| Molecular Weight |
1241.427
|
||||||||||||||||||
| Canonical SMILES |
CC(O)(CCCCCCOCCOCCOCc1cn(CCOCCOCCOCCOCCOCCS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)c(c3)-c3ccccn3)c(Cl)c2)nn1)C1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C64H91Cl2N5O13S/c1-62-22-19-50(72)42-47(62)11-14-52-55-16-18-60(63(55,2)23-20-56(52)62)64(3,74)21-7-4-5-9-26-77-28-30-82-38-39-84-46-49-45-71(70-69-49)25-27-78-29-31-79-32-33-80-34-35-81-36-37-83-40-41-85(75,76)51-13-15-53(58(66)44-51)61(73)68-48-12-17-57(65)54(43-48)59-10-6-8-24-67-59/h6,8,10-13,15,17,24,43-45,50,52,55-56,60,72,74H,4-5,7,9,14,16,18-23,25-42,46H2,1-3H3,(H,68,73)/t50-,52-,55-,56-,60?,62-,63-,64?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RCFNLYYCRFFJSS-KZGVZANWSA-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 | |||||||||||||||||||
| 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