General Information of the Compound
Compound ID |
CP0851418
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
N-(5-((3,7-difluorodibenzo[b,e]oxepin-11(6H)-ylidene)methyl)-1-((7S,8aS)-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl)-1H-benzo[d]imidazol-2(3H)-ylidene)cyanamide
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C30H25F2N5O2
|
||||||||||||||||||
Molecular Weight |
525.559
|
||||||||||||||||||
Canonical SMILES |
N#C/N=c1/[nH]c2cc(/C=C3/c4ccc(F)cc4OCc4c(F)cccc43)ccc2n1[C@H]1C[C@H]2COCCN2C1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C30H25F2N5O2/c31-19-5-6-23-24(22-2-1-3-26(32)25(22)16-39-29(23)12-19)10-18-4-7-28-27(11-18)35-30(34-17-33)37(28)20-13-21-15-38-9-8-36(21)14-20/h1-7,10-12,20-21H,8-9,13-16H2,(H,34,35)/b24-10+/t20-,21-/m0/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
FKIABHJHRFTRQF-QRQYZTNLSA-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