General Information of the Compound
| Compound ID |
CP0417728
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-[5-acetyl-1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-ylethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H40F3N5O3S
|
||||||||||||||||||
| Molecular Weight |
607.743
|
||||||||||||||||||
| Canonical SMILES |
CC1CCN(CC(O)Cn2nc(c3CN(CCc23)C(C)=O)-c2ccc(c(SCC(=O)N3CCCC3)c2)C(F)(F)F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H40F3N5O3S/c1-20-7-12-35(13-8-20)16-23(40)17-38-26-9-14-37(21(2)39)18-24(26)29(34-38)22-5-6-25(30(31,32)33)27(15-22)42-19-28(41)36-10-3-4-11-36/h5-6,15,20,23,40H,3-4,7-14,16-19H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JZYAJDNHXDGGCE-UHFFFAOYSA-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