General Information of the Compound
| Compound ID |
CP0230995
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[[(2R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-2-yl]carbamoylamino]-5-(1-methyltetrazol-5-yl)phenyl]-2-methylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H38FN7O3
|
||||||||||||||||||
| Molecular Weight |
551.667
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CCN1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(cc(c1)C(C)(C)C(O)=O)-c1nnnn1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H38FN7O3/c1-19(11-13-37-12-5-6-21(18-37)14-20-7-9-24(30)10-8-20)31-28(40)32-25-16-22(26-33-34-35-36(26)4)15-23(17-25)29(2,3)27(38)39/h7-10,15-17,19,21H,5-6,11-14,18H2,1-4H3,(H,38,39)(H2,31,32,40)/t19-,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HJYDRMMVPRLQMJ-CTNGQTDRSA-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