General Information of the Compound
| Compound ID |
CP0701642
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[trans-4-(3-Methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]-pyridin-4-yl)cyclohexyl]acetyl]azetidine-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Formula |
C19H23N5O2
|
||||||||||||||||||
| Molecular Weight |
353.426
|
||||||||||||||||||
| Canonical SMILES |
Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CC(C#N)C4)CC3)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23N5O2/c1-11-18-15(7-16(25)21-19(18)23-22-11)14-4-2-12(3-5-14)6-17(26)24-9-13(8-20)10-24/h7,12-14H,2-6,9-10H2,1H3,(H2,21,22,23,25)/t12-,14-
Show/Hide
|
||||||||||||||||||
| InChIKey |
XTZXYRVNBGBQEE-MQMHXKEQSA-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