General Information of the Compound
| Compound ID |
CP0904636
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(3R)-3-Methylmorpholin-4-yl]-4-[4-(methylsulfonyl)piperazin-1-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27N7O3S
|
||||||||||||||||||
| Molecular Weight |
457.56
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1COCCN1c1cc(N2CCN(S(C)(=O)=O)CC2)c2ccnc(-c3ccn[nH]3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27N7O3S/c1-15-14-31-12-11-28(15)19-13-18(26-7-9-27(10-8-26)32(2,29)30)16-3-5-22-21(20(16)24-19)17-4-6-23-25-17/h3-6,13,15H,7-12,14H2,1-2H3,(H,23,25)/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PCENXOZMURIZBY-OAHLLOKOSA-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 | |||||||||||||||||||
| 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