General Information of the Compound
| Compound ID |
CP0920883
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
rac-(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)(5-(3-(pyrrolidin-1-ylmethyl)phenyl)thiophen-2-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H28N4O2S
|
||||||||||||||||||
| Molecular Weight |
508.647
|
||||||||||||||||||
| Canonical SMILES |
O=C(c1ccc(-c2cccc(CN3CCCC3)c2)s1)N1N=C(c2cccnc2)CC1c1ccccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H28N4O2S/c35-27-11-2-1-10-24(27)26-18-25(23-9-6-14-31-19-23)32-34(26)30(36)29-13-12-28(37-29)22-8-5-7-21(17-22)20-33-15-3-4-16-33/h1-2,5-14,17,19,26,35H,3-4,15-16,18,20H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MODIKXRYJSEPRD-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