General Information of the Compound
| Compound ID |
CP0487701
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25FN2O3
|
||||||||||||||||||
| Molecular Weight |
384.451
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)C[C@@H](NC(=O)Nc2cccc3CC[C@@H](O)Cc23)c2ccc(F)cc2O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25FN2O3/c1-22(2)12-19(16-9-7-14(23)10-20(16)28-22)25-21(27)24-18-5-3-4-13-6-8-15(26)11-17(13)18/h3-5,7,9-10,15,19,26H,6,8,11-12H2,1-2H3,(H2,24,25,27)/t15-,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QICYXTGTQQCQCA-DNVCBOLYSA-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