General Information of the Compound
| Compound ID |
CP0579171
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl N-[3-[6-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylbenzimidazol-4-yl]oxypropyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H33N7O5
|
||||||||||||||||||
| Molecular Weight |
499.572
|
||||||||||||||||||
| Canonical SMILES |
CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OCCCNC(=O)OC(C)(C)C)c2n1C)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H33N7O5/c1-7-31-17(11-14(2)29-31)21(33)28-22-27-16-12-15(20(25)32)13-18(19(16)30(22)6)35-10-8-9-26-23(34)36-24(3,4)5/h11-13H,7-10H2,1-6H3,(H2,25,32)(H,26,34)(H,27,28,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VEIRRISJNVGZGW-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 | |||||||||||||||||||
| PubChem 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