General Information of the Compound
| Compound ID |
CP0549009
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl N-[4-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]butyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H43N7O2
|
||||||||||||||||||
| Molecular Weight |
509.699
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1cc(CN(CCCCNC(=O)OC(C)(C)C)C2CCCc3cccnc23)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H43N7O2/c1-28(2,3)37-27(36)30-12-5-6-14-35(24-11-7-9-22-10-8-13-29-26(22)24)20-23-19-25(32-21-31-23)34-17-15-33(4)16-18-34/h8,10,13,19,21,24H,5-7,9,11-12,14-18,20H2,1-4H3,(H,30,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NTBMKKAGZYVRGZ-UHFFFAOYSA-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