General Information of the Compound
| Compound ID |
CP0350081
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(1R,3R)-1-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypentan-3-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H34FN7O2
|
||||||||||||||||||
| Molecular Weight |
495.603
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cccc(c1)-c1nnnn1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H34FN7O2/c1-3-22(28-26(36)29-23-8-4-7-20(15-23)25-30-31-32-33(25)2)16-24(35)34-13-5-6-19(17-34)14-18-9-11-21(27)12-10-18/h4,7-12,15,19,22,24,35H,3,5-6,13-14,16-17H2,1-2H3,(H2,28,29,36)/t19-,22+,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HTZBCHVAMWNYJY-BPUDTRNYSA-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