General Information of the Compound
| Compound ID |
CP0253283
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl N-[3-[(R)-[4-[ethyl(methyl)carbamoyl]phenyl]-[4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]methyl]phenyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H33N5O3S
|
||||||||||||||||||
| Molecular Weight |
507.66
|
||||||||||||||||||
| Canonical SMILES |
CCN(C)C(=O)c1ccc(cc1)[C@@H](N1CCN(Cc2cscn2)CC1)c1cccc(NC(=O)OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33N5O3S/c1-4-30(2)26(33)21-10-8-20(9-11-21)25(22-6-5-7-23(16-22)29-27(34)35-3)32-14-12-31(13-15-32)17-24-18-36-19-28-24/h5-11,16,18-19,25H,4,12-15,17H2,1-3H3,(H,29,34)/t25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RKZCJFSJVDANFF-RUZDIDTESA-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