General Information of the Compound
| Compound ID |
CP0479988
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[1-[3-[3-[3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]sulfanyl-4-(trifluoromethyl)phenyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]pyrrolidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H43F3N6O5S2
|
||||||||||||||||||
| Molecular Weight |
712.861
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CCCN1CCC(CC1)N1CCCC1=O)-c1ccc(c(SCC(=O)N2CCC(O)C2)c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H43F3N6O5S2/c1-48(45,46)39-17-10-27-25(20-39)31(36-41(27)13-3-11-37-14-7-23(8-15-37)40-12-2-4-29(40)43)22-5-6-26(32(33,34)35)28(18-22)47-21-30(44)38-16-9-24(42)19-38/h5-6,18,23-24,42H,2-4,7-17,19-21H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DPEWOEVHBFUSOR-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