General Information of the Compound
| Compound ID |
CP0890943
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-(3-{3-[4-(3-Methoxy-phenyl)-piperidin-1-yl]-propyl}-thioureido)-phenyl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
Show/Hide
|
||||||||||||||||||
| Formula |
C33H42N4O5S
|
||||||||||||||||||
| Molecular Weight |
606.789
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)C1c1cccc(N/C(S)=N/CCCN2CCC(c3cccc(OC)c3)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H42N4O5S/c1-21-28(31(38)41-4)30(29(22(2)35-21)32(39)42-5)25-10-6-11-26(19-25)36-33(43)34-15-8-16-37-17-13-23(14-18-37)24-9-7-12-27(20-24)40-3/h6-7,9-12,19-20,23,30,38H,8,13-18H2,1-5H3,(H2,34,36,43)/b31-28+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DKRKVNNABQANQQ-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