General Information of the Compound
| Compound ID |
CP0875074
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-(3-{2-[1-(2-Hydroxy-phenyl)-piperidin-4-ylamino]-ethyl}-ureido)-phenyl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
Show/Hide
|
||||||||||||||||||
| Formula |
C31H39N5O6
|
||||||||||||||||||
| Molecular Weight |
577.682
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(NC(=O)NCCNC2CCN(c3ccccc3O)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H39N5O6/c1-19-26(29(38)41-3)28(27(20(2)34-19)30(39)42-4)21-8-7-9-23(18-21)35-31(40)33-15-14-32-22-12-16-36(17-13-22)24-10-5-6-11-25(24)37/h5-11,18,22,28,32,37-38H,12-17H2,1-4H3,(H2,33,35,40)/b29-26+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DVUOLRXHRNQYNQ-PBBVDAKRSA-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