General Information of the Compound
| Compound ID |
CP0638626
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,4S)-4-(3-(2-(3-methylisoxazol-5-yl)acetamido)-1H-pyrazol-5-yl)cycloheptyl(1-methylcyclopropyl)carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H29N5O4
|
||||||||||||||||||
| Molecular Weight |
415.494
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(CC(=O)Nc2cc([C@H]3CCC[C@@H](OC(=O)NC4(C)CC4)CC3)[nH]n2)on1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H29N5O4/c1-13-10-16(30-26-13)11-19(27)22-18-12-17(24-25-18)14-4-3-5-15(7-6-14)29-20(28)23-21(2)8-9-21/h10,12,14-15H,3-9,11H2,1-2H3,(H,23,28)(H2,22,24,25,27)/t14-,15+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ISHSOFVJNNNVCJ-LSDHHAIUSA-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