General Information of the Compound
| Compound ID |
CP0945127
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-{3-[3-(4-Biphenyl-3-yl-piperidin-1-yl)-propyl]-ureido}-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
Show/Hide
|
||||||||||||||||||
| Formula |
C38H44N4O5
|
||||||||||||||||||
| Molecular Weight |
636.793
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCC(c3cccc(-c4ccccc4)c3)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H44N4O5/c1-25-33(36(43)46-3)35(34(26(2)40-25)37(44)47-4)31-15-9-16-32(24-31)41-38(45)39-19-10-20-42-21-17-28(18-22-42)30-14-8-13-29(23-30)27-11-6-5-7-12-27/h5-9,11-16,23-24,28,35,43H,10,17-22H2,1-4H3,(H2,39,41,45)/b36-33+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JNJWNECCIOEFEZ-PKUSAGTQSA-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 | |||||||||||||||||||
| 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