General Information of the Compound
| Compound ID |
CP0946555
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-{3-[3-(4-Benzyl-piperidin-1-yl)-propyl]-ureido}-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
Show/Hide
|
||||||||||||||||||
| Formula |
C33H42N4O5
|
||||||||||||||||||
| Molecular Weight |
574.722
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCCN2CCC(Cc3ccccc3)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H42N4O5/c1-22-28(31(38)41-3)30(29(23(2)35-22)32(39)42-4)26-12-8-13-27(21-26)36-33(40)34-16-9-17-37-18-14-25(15-19-37)20-24-10-6-5-7-11-24/h5-8,10-13,21,25,30,38H,9,14-20H2,1-4H3,(H2,34,36,40)/b31-28+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VOLPZSTTWFCARR-CCFHIKDMSA-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