General Information of the Compound
| Compound ID |
CP0467610
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(Z)-N'-cyano-N-methyl-4-(2-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)ethyl)-4-phenylpiperidine-1-carboximidamide
Show/Hide
|
||||||||||||||||||
| Formula |
C31H39N7
|
||||||||||||||||||
| Molecular Weight |
509.702
|
||||||||||||||||||
| Canonical SMILES |
CNC(=NC#N)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H39N7/c1-23-35-28-10-6-7-11-29(28)38(23)27-20-25-12-13-26(21-27)37(25)19-16-31(24-8-4-3-5-9-24)14-17-36(18-15-31)30(33-2)34-22-32/h3-11,25-27H,12-21H2,1-2H3,(H,33,34)/t25-,26+,27+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ATINLGULZVKYSO-UQWUFBTJSA-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