General Information of the Compound
| Compound ID |
CP0967055
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(3R,5S)-3,5-dimethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazin-1-yl]-2-methoxy-ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H33N9O2
|
||||||||||||||||||
| Molecular Weight |
479.589
|
||||||||||||||||||
| Canonical SMILES |
COCC(=O)N1C[C@@H](C)N(c2ncc3[nH]nc(-c4ccc(N5CCN[C@H](C)C5)nc4)c3n2)[C@@H](C)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H33N9O2/c1-15-11-31(8-7-25-15)20-6-5-18(9-26-20)22-23-19(29-30-22)10-27-24(28-23)33-16(2)12-32(13-17(33)3)21(34)14-35-4/h5-6,9-10,15-17,25H,7-8,11-14H2,1-4H3,(H,29,30)/t15-,16-,17+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KCDXXXPORYWJAK-ZACQAIPSSA-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