General Information of the Compound
| Compound ID |
CP0639459
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,3S)-3-(3-(2-(3-methylisoxazol-5-yl)acetamido)-1H-pyrazol-5-yl)cyclopentyl 2,2-dimethylazetidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H27N5O4
|
||||||||||||||||||
| Molecular Weight |
401.467
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N4CCC4(C)C)C3)[nH]n2)on1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H27N5O4/c1-12-8-15(29-24-12)10-18(26)21-17-11-16(22-23-17)13-4-5-14(9-13)28-19(27)25-7-6-20(25,2)3/h8,11,13-14H,4-7,9-10H2,1-3H3,(H2,21,22,23,26)/t13-,14+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UHPQNSPVZNHDHX-UONOGXRCSA-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