General Information of the Compound
| Compound ID |
CP0527729
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-(6-(4-(4-(benzylamino)-6-(trifluoromethyl)-1H-benzo[d]-imidazol-2-yl)-3-methylpiperazin-1-yl)-5-chloropyridin-3-yl)-methanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26ClF3N6O
|
||||||||||||||||||
| Molecular Weight |
530.982
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(CCN1c1nc2c(NCc3ccccc3)cc(cc2[nH]1)C(F)(F)F)c1ncc(CO)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26ClF3N6O/c1-16-14-35(24-20(27)9-18(15-37)13-32-24)7-8-36(16)25-33-22-11-19(26(28,29)30)10-21(23(22)34-25)31-12-17-5-3-2-4-6-17/h2-6,9-11,13,16,31,37H,7-8,12,14-15H2,1H3,(H,33,34)/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JVPDXKIAAGISME-MRXNPFEDSA-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