General Information of the Compound
| Compound ID |
CP0229600
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-ethyl-N-[1-[(E)-4-[2-(2-ethyl-5-methylpyrazole-3-carbonyl)imino-4-(hydroxymethyl)-3-methylbenzimidazol-1-yl]but-2-enyl]-3-methylbenzimidazol-2-ylidene]-5-methylpyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C35H40N10O3
|
||||||||||||||||||
| Molecular Weight |
648.772
|
||||||||||||||||||
| Canonical SMILES |
CCn1nc(C)cc1C(=O)\N=c1/n(C)c2ccccc2n1C\C=C\Cn1c2cccc(CO)c2n(C)\c1=N/C(=O)c1cc(C)nn1CC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H40N10O3/c1-7-44-29(20-23(3)38-44)32(47)36-34-40(5)26-15-9-10-16-27(26)42(34)18-11-12-19-43-28-17-13-14-25(22-46)31(28)41(6)35(43)37-33(48)30-21-24(4)39-45(30)8-2/h9-17,20-21,46H,7-8,18-19,22H2,1-6H3/b12-11+,36-34+,37-35+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VYFHTDVQVBDZSD-USMQRZEUSA-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