General Information of the Compound
| Compound ID |
CP0919234
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
dimethyl1-{3-[3-[4-(tert-butyl)hexahydro-1-pyridinyl]propylamino(nitrileimino)methylamino]phenyl}-3,5-dimethyl-1,4-dihydro-2,6-pyrazinedicarboxylate
Show/Hide
|
||||||||||||||||||
| Formula |
C30H43N7O4
|
||||||||||||||||||
| Molecular Weight |
565.719
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)N1c1cccc(N/C(=N/CCCN2CCC(C(C)(C)C)CC2)NC#N)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H43N7O4/c1-20-25(27(38)40-6)37(26(21(2)34-20)28(39)41-7)24-11-8-10-23(18-24)35-29(33-19-31)32-14-9-15-36-16-12-22(13-17-36)30(3,4)5/h8,10-11,18,22,38H,9,12-17H2,1-7H3,(H2,32,33,35)/b27-25+
Show/Hide
|
||||||||||||||||||
| InChIKey |
WTYWVIVDIVDHPV-IMVLJIQESA-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