General Information of the Compound
| Compound ID |
CP0426282
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-methylidene-4,8-bis-(4-methylphenyl)sulfonyl-13-phenylmethoxy-4,8,15-triazabicyclo[9.3.1]pentadeca-1(14),11(15),12-triene;hydrochloride
Show/Hide
|
||||||||||||||||||
| Formula |
C34H38ClN3O5S2
|
||||||||||||||||||
| Molecular Weight |
668.281
|
||||||||||||||||||
| Canonical SMILES |
Cl.Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(OCc3ccccc3)cc(CCN(CC(=C)C1)S(=O)(=O)c1ccc(C)cc1)n2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H37N3O5S2.ClH/c1-26-9-13-33(14-10-26)43(38,39)36-19-17-30-21-32(42-25-29-7-5-4-6-8-29)22-31(35-30)18-20-37(24-28(3)23-36)44(40,41)34-15-11-27(2)12-16-34;/h4-16,21-22H,3,17-20,23-25H2,1-2H3;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
NCBDJOWVISBJPG-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 | |||||||||||||||||||
| 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